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网站主页CAS数据库列表 115-40-2更多图谱溴甲酚紫(115-40-2)核磁图(13CNMR)

溴甲酚紫

产品名称 溴甲酚紫

CAS号115-40-2

分子式C21H16Br2O5S

分子量540.22

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  • Mass

    MS-NW-0363          
    bromocresol purple
    C21H16Br2O5S        (Mass of molecular ion:    538)
    

       Source Temperature: 200 °C
       Sample Temperature: 220 °C
       Direct, 75 eV
    

          39.0       2.3
          43.0       1.0
          48.0       1.4
          50.0       2.1
          51.0       6.4
          52.0       1.9
          53.0       2.3
          63.0       2.5
          64.0       3.1
          65.0       1.0
          67.0       1.1
          74.0       1.0
          75.0       2.5
          76.0       4.3
          77.0      10.7
          78.0       9.5
          79.0       2.8
          80.0       6.7
          81.0       2.6
          82.0       6.7
          87.0       1.5
          88.0       1.8
          89.0       1.5
          93.5       1.1
          94.0       1.0
          94.5       2.2
          99.0       1.0
         100.0       2.7
         101.0       3.7
         102.0       1.0
         104.0       2.7
         105.0       3.3
         106.0       3.6
         106.5       3.3
         107.0       2.7
         107.5       1.7
         108.0       1.3
         112.0       2.3
         112.5       1.2
         113.0       8.7
         113.5       2.3
         114.0       1.7
         115.0       2.2
         118.5       2.7
         119.0       3.5
         119.5       5.2
         120.0       2.7
         121.0       2.3
         122.0       1.4
         125.0       2.5
         125.5       1.0
         126.0       4.9
         126.5       1.0
         127.0       2.0
         127.5       4.3
         128.0       4.0
         128.5       1.2
         133.0       1.0
         134.0       2.5
         134.5       1.2
         135.0       2.2
         135.5       1.7
         136.0       1.7
         136.5       1.9
         137.0       1.1
         139.0       3.2
         141.0       1.5
         142.0       2.6
         142.5       2.2
         143.0       1.5
         144.0       2.3
         149.0       2.6
         149.5       1.3
         150.0       3.6
         150.5       3.9
         151.0       3.2
         152.0       6.2
         153.0       4.4
         154.0       1.2
         157.0       1.1
         158.0       2.9
         163.0       3.3
         164.0       3.1
         165.0       9.2
         166.0       2.3
         175.0       1.0
         176.0       1.8
         181.0       7.5
         182.0       3.8
         183.0       2.0
         185.0       1.7
         186.0       1.0
         187.0       1.8
         188.0       1.2
         189.0       4.1
         189.5       1.6
         190.0       1.9
         190.5       1.6
         195.0       1.1
         200.0       2.6
         201.0       1.8
         202.0       4.9
         203.0       1.7
         209.0       3.0
         210.0       7.8
         211.0       3.0
         212.0       1.3
         213.0       7.1
         214.0       1.9
         215.0       6.4
         216.0       1.3
         224.0       2.1
         225.0       2.0
         226.0      10.3
         227.0       5.5
         228.0       3.4
         229.0       1.9
         229.5       6.3
         230.0       1.7
         230.5       6.3
         231.0       1.9
         237.0       2.1
         238.0       1.5
         239.0       9.1
         240.0       3.5
         241.0       2.5
         242.0       3.0
         243.0       1.6
         244.0       1.1
         245.0       1.5
         250.0       1.1
         252.0       2.1
         253.0       2.4
         254.0       1.1
         255.0      12.3
         256.0       7.5
         257.0       3.9
         258.0       1.2
         268.0       1.8
         269.0       4.2
         270.0       3.0
         271.0       5.7
         272.0       3.0
         273.0       3.7
         274.0       1.5
         275.0       3.6
         283.0       1.5
         284.0       2.1
         285.0       5.8
         286.0       1.6
         287.0       1.3
         288.0       1.4
         289.0       2.6
         290.0       1.8
         291.0       2.4
         298.0       1.9
         299.0       3.3
         300.0       2.6
         301.0       3.9
         302.0       1.2
         315.0       3.0
         316.0       1.5
         335.0       1.0
         336.0       1.5
         337.0       1.8
         338.0       1.2
         339.0       1.1
         349.0       1.8
         350.0       1.5
         351.0       2.0
         352.0       1.8
         353.0      10.6
         354.0       2.0
         355.0      10.6
         356.0       1.7
         363.0       1.7
         365.0       3.2
         366.0       1.2
         367.0       1.9
         369.0       1.2
         371.0       1.8
         372.0       1.4
         373.0       1.1
         378.0       2.7
         379.0      99.8
         380.0      26.9
         381.0     100.0
         382.0      23.6
         383.0       3.7
         393.0       1.8
         394.0       1.3
         395.0      10.3
         396.0       3.2
         397.0       8.7
         398.0       2.0
         443.0       8.3
         444.0       2.2
         445.0      14.4
         446.0       3.3
         447.0       7.1
         448.0       1.6
         457.0       3.0
         458.0       6.4
         459.0      12.6
         460.0      12.2
         461.0      15.2
         462.0       7.8
         463.0       5.5
         464.0       1.2
         473.0       1.4
         474.0       1.3
         475.0       2.9
         476.0       1.8
         477.0       1.5
         538.0      16.8
         539.0       4.4
         540.0      32.9
         541.0       8.2
         542.0      18.6
         543.0       4.2
         544.0       1.5
    

in CDCl3

90 MHz in CDCl3




  • 1H NMR 89.56 MHz
    C21 H16 Br2 O5 S 0.043 g : 0.5 ml CDCl3
    bromocresol purple
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.842 B 7.69 C 7.64 D 7.33 E 7.192 F 6.994 G 5.7 J 2.241 THE SHIFT VALUES OF B AND C WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        702.44   7.844     45
        701.88   7.837     48
        699.75   7.814     88
        699.00   7.805     73
        692.44   7.732     76
        690.38   7.709     74
        689.63   7.701     85
        686.69   7.668    169
        683.25   7.629     77
        682.56   7.622     60
        680.75   7.602     60
        660.25   7.373     62
        659.56   7.365     64
        657.69   7.344     51
        657.13   7.338     41
        654.56   7.309     42
        652.31   7.284     45
        651.31   7.273     40
        650.63   7.265     45
        645.75   7.211    164
        645.19   7.204    157
        643.38   7.184    218
        642.81   7.178    204
        627.88   7.011    183
        627.13   7.003    187
        626.31   6.994    107
        625.50   6.985    154
        624.75   6.976    142
        200.81   2.243   1000
    

in CDCl3



KBr disc



nujol mull