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网站主页CAS数据库列表 76-59-5更多图谱溴百里酚蓝(76-59-5)红外图谱(IR1)

溴百里酚蓝

产品名称 溴百里酚蓝

CAS号76-59-5

分子式C27H28Br2O5S

分子量624.38

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  • Mass

    MS2011-04454CW      
    bromothymol blue
    C27H28Br2O5S        (Mass of molecular ion:    622)
    

       Source Temperature: 250 °C
       Sample Temperature:  80 °C
       Direct, 70 eV
    

          15.0       2.3
          17.0       3.2
          18.0      12.8
          23.0       1.5
          27.0      12.3
          28.0       6.2
          29.0       5.5
          31.0       1.6
          32.0       1.1
          36.0       2.1
          38.0       1.2
          39.0       9.5
          39.5       1.0
          40.0       1.8
          41.0      27.7
          42.0       2.1
          43.0      66.5
          44.0       7.9
          45.0       1.3
          48.0       2.9
          50.0       1.9
          51.0       5.2
          52.0       1.6
          53.0       5.4
          55.0       5.6
          57.0       1.1
          63.0       2.9
          64.0       7.1
          65.0       6.4
          66.0       1.4
          67.0      12.4
          69.0       4.1
          75.0       2.0
          76.0       4.2
          77.0      18.4
          78.0       6.7
          79.0      24.0
          80.0      42.9
          81.0      17.5
          82.0      41.3
          83.0       2.6
          88.0       1.0
          89.0       4.2
          90.0       1.4
          91.0      13.3
          92.0       2.6
          93.0       1.9
          94.0       1.1
          94.5       1.3
          95.0       1.4
          97.0       1.4
         101.0       3.4
         102.0       2.6
         103.0       8.6
         104.0       7.0
         105.0      13.1
         106.0       1.9
         106.5       1.3
         107.0       2.9
         107.5       1.4
         108.0       1.8
         109.0       1.2
         113.0       5.6
         113.5       1.5
         114.0       2.9
         115.0      13.0
         116.0       3.3
         117.0       3.4
         118.0       2.1
         118.5       2.0
         119.0       4.9
         119.5       6.5
         120.0       5.7
         120.5       1.1
         121.0       3.8
         122.0       1.1
         125.0       4.2
         125.5       1.7
         126.0      10.9
         126.5       3.4
         127.0       4.5
         127.5       1.5
         128.0       6.0
         129.0       3.6
         130.0       1.2
         131.0       5.3
         131.5       8.8
         132.0      10.3
         132.5       5.3
         133.0      16.4
         133.5       1.7
         134.0       8.3
         134.5       1.7
         135.0       4.8
         136.0       1.6
         137.0       3.2
         137.5       1.4
         138.0      13.3
         138.5       5.7
         139.0       7.9
         139.5       3.3
         140.0       4.2
         140.5       2.7
         141.0       5.6
         141.5       1.7
         142.0       2.1
         143.0       1.1
         143.5       3.1
         144.0       3.0
         144.5       6.4
         145.0       7.3
         145.5       2.5
         146.0       6.5
         146.5       3.1
         147.0       7.3
         147.5       3.1
         148.0      12.6
         148.5       1.8
         149.0       3.7
         149.5       1.0
         150.0       5.3
         150.5       2.2
         151.0       7.0
         151.5       1.7
         152.0      10.4
         152.5       2.5
         153.0      12.0
         153.5       2.0
         154.0       4.6
         154.5       2.9
         155.0       4.9
         155.5       3.2
         156.0       2.6
         156.5       2.0
         157.0       2.2
         158.0       1.7
         159.0       2.2
         159.5       1.6
         160.0       2.8
         160.5       1.8
         161.0       3.4
         161.5       3.0
         162.0       5.1
         162.5       2.7
         163.0       6.1
         163.5       1.2
         164.0       6.8
         165.0      19.4
         166.0       5.5
         167.0       2.7
         167.5       1.2
         168.0       3.0
         168.5       3.6
         169.0       6.0
         169.5       3.2
         170.0       2.5
         170.5       1.0
         171.0       1.3
         175.0       1.6
         176.0       6.9
         176.5       4.3
         177.0       8.0
         177.5       1.4
         178.0      12.3
         179.0       6.8
         180.0       2.3
         181.0       7.3
         182.0       3.6
         183.0       1.3
         184.0       1.6
         184.5       1.1
         185.0       1.7
         187.0       2.1
         188.0       2.1
         189.0      14.0
         190.0       6.1
         191.0       8.5
         192.0       4.6
         193.0       3.7
         194.0       6.6
         195.0       5.4
         196.0       2.2
         197.0       1.4
         199.0       1.8
         200.0       3.2
         201.0       4.1
         201.5       1.1
         202.0      15.5
         202.5       1.8
         203.0       8.8
         203.5       1.0
         204.0       2.7
         205.0       5.7
         206.0       3.0
         207.0       5.7
         208.0       5.6
         208.5       1.1
         209.0       7.8
         209.5       2.6
         210.0      10.2
         210.5       1.3
         211.0       4.1
         212.0       4.4
         213.0       8.4
         214.0       6.2
         215.0      10.6
         215.5       1.0
         216.0       7.6
         216.5       3.3
         217.0       7.0
         217.5       2.4
         218.0       6.5
         219.0       7.9
         220.0       6.3
         221.0       9.1
         222.0       3.3
         223.0       3.6
         223.5       2.6
         224.0       4.9
         224.5       3.1
         225.0       4.5
         226.0      12.5
         227.0       7.3
         228.0       7.1
         229.0       4.8
         230.0       3.3
         231.0       4.6
         232.0       3.2
         233.0       3.0
         234.0       2.9
         235.0       6.1
         236.0       6.9
         237.0       8.5
         238.0       4.1
         239.0      19.1
         240.0       7.6
         241.0       6.3
         242.0       4.3
         243.0       7.8
         244.0       3.5
         245.0       5.7
         246.0       1.8
         247.0       1.2
         248.0       1.6
         249.0       2.7
         249.5       1.4
         250.0       8.1
         251.0       9.4
         252.0      15.6
         253.0      11.6
         254.0       4.7
         255.0      14.6
         256.0       6.3
         257.0      10.3
         257.5       1.0
         258.0       4.3
         259.0       2.3
         260.0       1.1
         261.0       1.9
         262.0       1.3
         263.0      11.4
         264.0       7.2
         264.5       1.0
         265.0      12.0
         266.0       6.9
         267.0       5.8
         268.0      11.0
         269.0      12.7
         270.0       6.3
         271.0       5.1
         272.0       2.9
         273.0       3.9
         274.0       2.9
         275.0       4.1
         276.0       7.9
         277.0       7.2
         278.0       4.2
         279.0       8.9
         280.0       5.1
         281.0      13.9
         282.0      13.5
         283.0      11.2
         284.0      13.3
         285.0       7.8
         286.0       3.0
         287.0       3.6
         288.0       3.3
         289.0       5.7
         290.0       3.7
         291.0       4.2
         292.0       6.7
         293.0       8.4
         294.0       6.4
         295.0      10.1
         296.0       7.5
         297.0      11.2
         297.5       1.6
         298.0      15.1
         299.0      11.2
         300.0       6.1
         301.0       6.9
         302.0       5.0
         303.0       3.4
         304.0       4.1
         305.0       4.2
         306.0       4.1
         307.0       6.2
         308.0       6.5
         309.0       8.4
         310.0      10.6
         311.0      11.7
         312.0       5.9
         313.0       5.7
         314.0       4.3
         315.0      18.1
         316.0       9.5
         317.0      15.6
         318.0       4.2
         319.0       2.8
         320.0       1.9
         321.0       2.9
         322.0       2.5
         323.0       5.1
         324.0       6.9
         325.0       8.1
         326.0       7.3
         327.0       5.0
         328.0       1.9
         329.0       2.0
         330.0       3.5
         331.0       3.1
         332.0       3.7
         333.0       3.5
         334.0       1.8
         335.0       2.9
         336.0       2.0
         337.0       3.2
         338.0       2.6
         339.0       4.6
         340.0       4.6
         341.0       4.0
         342.0       2.8
         343.0       9.0
         344.0       2.6
         345.0       1.4
         346.0       3.0
         347.0       3.1
         348.0       3.4
         349.0       3.6
         350.0       1.9
         351.0       2.5
         352.0       1.7
         353.0       2.8
         354.0       1.5
         355.0       1.8
         356.0       1.7
         357.0       1.8
         359.0       2.4
         360.0       2.4
         361.0       4.4
         362.0       9.1
         363.0       7.4
         364.0       8.8
         365.0       5.9
         366.0       2.9
         367.0       2.5
         368.0       1.8
         369.0       3.0
         370.0       1.5
         371.0       3.9
         372.0       1.8
         373.0       2.9
         374.0       2.5
         375.0       5.8
         376.0       6.0
         377.0       8.4
         378.0       8.6
         379.0      13.3
         380.0       6.9
         381.0      10.3
         382.0       3.4
         383.0       2.1
         384.0       6.7
         385.0       6.0
         386.0       2.8
         387.0       3.2
         388.0       4.0
         389.0       7.4
         390.0       6.8
         391.0       8.3
         392.0       6.4
         393.0      20.2
         394.0      40.4
         395.0      39.3
         396.0      43.5
         397.0      23.5
         398.0       5.9
         399.0       2.5
         401.0       1.8
         402.0       1.8
         403.0       4.1
         404.0       5.2
         405.0      10.0
         406.0       7.6
         407.0       7.8
         408.0       4.0
         409.0       2.2
         411.0       1.0
         415.0       1.3
         417.0       2.7
         418.0       2.8
         419.0       5.7
         420.0       7.0
         421.0      22.5
         422.0      11.4
         423.0      22.2
         424.0       6.0
         425.0       1.5
         431.0       1.8
         432.0       1.3
         433.0       5.4
         434.0       2.9
         435.0       7.3
         436.0       3.2
         437.0       4.2
         438.0       1.5
         439.0       1.6
         441.0       2.4
         442.0       1.4
         443.0       2.8
         444.0       4.2
         445.0       3.4
         446.0       4.5
         447.0       9.5
         448.0       6.5
         449.0      16.2
         450.0       8.4
         451.0      13.5
         452.0       4.2
         453.0       1.4
         455.0       1.9
         456.0       1.6
         457.0       2.8
         458.0       7.9
         459.0       6.1
         460.0       8.4
         461.0       7.0
         462.0      27.3
         463.0      35.1
         464.0      35.0
         465.0      36.5
         466.0      13.3
         467.0       6.8
         468.0       2.0
         469.0       3.2
         470.0       2.7
         471.0       3.3
         472.0       2.7
         473.0       2.5
         474.0       1.1
         475.0       1.0
         479.0       1.6
         480.0       1.1
         481.0       1.1
         483.0       2.5
         484.0       2.3
         485.0       5.2
         486.0       8.2
         487.0       5.8
         488.0       7.1
         489.0       2.9
         497.0       1.9
         498.0       2.2
         499.0      48.2
         500.0      26.6
         501.0     100.0
         502.0      38.8
         503.0      57.1
         504.0      14.9
         505.0       4.0
         511.0       2.4
         512.0       1.3
         513.0       5.2
         514.0       2.4
         515.0       5.7
         516.0       2.1
         517.0       3.9
         518.0       1.7
         519.0       1.5
         520.0       1.6
         522.0       1.0
         523.0       4.4
         524.0       1.6
         525.0      10.5
         526.0       4.1
         527.0      34.1
         528.0      18.8
         529.0      66.4
         530.0      26.7
         531.0      39.6
         532.0      11.1
         533.0       2.4
         537.0       7.1
         538.0       2.5
         539.0      14.3
         540.0       6.5
         541.0      19.9
         542.0      16.3
         543.0      45.2
         544.0      31.4
         545.0      45.7
         546.0      23.5
         547.0      15.6
         548.0       4.2
         549.0       1.1
         551.0       1.1
         558.0       1.4
         559.0       1.0
         560.0       1.6
         564.0       1.1
         565.0       2.2
         566.0       2.4
         567.0       3.8
         568.0       1.9
         569.0       2.0
         579.0      20.0
         580.0       5.7
         581.0      40.2
         582.0      11.0
         583.0      22.5
         584.0       5.9
         585.0       2.0
         607.0      47.7
         608.0      14.3
         609.0      96.6
         610.0      28.2
         611.0      53.4
         612.0      15.1
         613.0       4.7
         614.0       1.0
         621.0       1.9
         622.0      34.2
         623.0      14.1
         624.0      69.0
         625.0      23.1
         626.0      38.6
         627.0      11.6
         628.0       3.6
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C27 H28 Br2 O5 S 0.039 g : 0.5 ml CDCl3
    bromothymol blue
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.87 B 7.69 C 7.65 D 7.104 E 6.648 F 5.7 G 3.191 J 2.154 K *1 1.037 L *1 0.999 THE SHIFT VALUES OF B AND C WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        711.50   7.945     39
        709.50   7.923     39
        706.50   7.889     60
        705.81   7.881     54
        702.88   7.849     86
        702.56   7.845     87
        696.56   7.778     31
        691.38   7.720    136
        689.25   7.696     78
        687.75   7.680    122
        686.50   7.666    123
        684.81   7.647     72
        682.56   7.622    139
        639.88   7.145     78
        637.44   7.118     53
        636.38   7.106     69
        633.38   7.073     52
        631.25   7.049     59
        595.38   6.648    273
        510.81   5.704     36
        300.19   3.352     30
        299.81   3.348     30
        293.25   3.275     78
        286.31   3.197    111
        279.63   3.123     90
        272.75   3.046     39
        192.94   2.155   1000
         96.25   1.075    405
         92.75   1.036    955
         89.50   1.000    425
         85.94   0.960    854
    

KBr disc



nujol mull