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网站主页CAS数据库列表 1733-12-6更多图谱甲酚红(1733-12-6)红外图谱(IR1)

甲酚红

产品名称 甲酚红

CAS号1733-12-6

分子式C21H18O5S

分子量382.43

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  • Mass

    MS-NW-0385          
    cresol red
    C21H18O5S           (Mass of molecular ion:    382)
    

       Source Temperature: 180 °C
       Sample Temperature: 280 °C
       Direct, 75 eV
    

          18.0       2.9
          27.0       1.1
          28.0       1.6
          39.0       2.6
          41.0       1.1
          43.0       1.0
          48.0       1.5
          50.0       1.1
          51.0       2.5
          52.0       1.3
          53.0       1.6
          55.0       1.6
          63.0       1.7
          64.0       4.0
          75.0       1.0
          76.0       1.9
          77.0       7.6
          78.0       1.9
          79.0       3.0
          88.0       1.1
          89.0       1.4
          90.0       1.2
          91.0       1.1
          94.5       1.3
         100.0       1.2
         101.0       2.7
         104.0       1.0
         106.5       1.6
         107.0       6.5
         107.5       1.1
         108.0       5.4
         109.0       1.0
         113.0       4.0
         113.5       1.0
         114.0       1.3
         115.0       2.3
         118.5       1.0
         119.0       1.8
         119.5       3.7
         120.0       1.9
         121.0       1.4
         123.0       1.3
         125.0       1.2
         126.0       2.2
         127.0       1.4
         127.5       1.2
         128.0       2.2
         129.0       1.2
         133.0       2.3
         134.0       2.6
         134.5       1.3
         135.0       8.0
         136.0       1.8
         139.0       1.8
         141.0       1.1
         142.0       1.5
         142.5       1.2
         143.0       2.6
         143.5       3.0
         144.0       1.2
         150.0       3.5
         150.5       1.2
         151.0       3.2
         152.0       4.1
         153.0       2.0
         163.0       1.2
         164.0       1.0
         165.0       7.8
         166.0       2.4
         168.0       2.0
         169.0       1.0
         176.0       1.1
         178.0       1.3
         181.0       3.7
         182.0       1.6
         189.0       2.4
         191.0       1.1
         194.0       2.9
         195.0      11.7
         196.0       2.6
         197.0       1.3
         200.0       1.2
         201.0       1.0
         202.0       3.8
         203.0       1.5
         210.0       2.4
         211.0       3.6
         212.0       1.0
         213.0       3.7
         214.0       2.0
         215.0       3.7
         216.0       1.2
         226.0       3.8
         227.0       2.8
         228.0       2.2
         229.0       1.9
         231.0       1.7
         239.0       4.1
         240.0       1.9
         241.0       1.9
         242.0       1.9
         243.0       1.4
         244.0       2.1
         245.0       1.5
         252.0       1.1
         255.0       3.9
         256.0       2.1
         257.0       4.0
         258.0       3.9
         259.0       2.1
         268.0       1.1
         269.0       2.1
         270.0       1.0
         271.0       4.7
         272.0       4.7
         273.0       2.6
         274.0       1.1
         275.0       8.3
         276.0       2.3
         284.0       1.3
         285.0      15.6
         286.0       5.4
         287.0     100.0
         288.0      22.8
         289.0       3.2
         299.0       1.4
         300.0      10.8
         301.0      28.4
         302.0      50.6
         303.0      20.4
         304.0       3.7
         316.0       1.1
         317.0       5.5
         318.0       2.8
         382.0      37.8
         383.0       9.3
         384.0       3.4
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C21 H18 O5 S 0.025 g : 0.5 ml DMSO-d6
    cresol red
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.89 B 8.031 C *1 7.748 D *1 7.690 E 7.481 F 6.988 G 6.928 J 6.765 K 2.059

         Hz     ppm     Int.
    

       3214.84   8.045     76
       3207.52   8.026     84
       3207.15   8.025     83
       3206.54   8.024     83
       3104.13   7.768     30
       3097.90   7.752     74
       3096.80   7.749     74
       3090.33   7.733     60
       3089.23   7.730     57
       3080.20   7.708     56
       3079.10   7.705     64
       3072.63   7.689     75
       3071.53   7.686     82
       3065.06   7.670     34
       3064.09   7.667     32
       2993.04   7.490     85
       2985.60   7.471     77
       2794.07   6.992    175
       2792.24   6.987    207
       2774.66   6.943    111
       2772.22   6.937     90
       2766.24   6.922    137
       2763.67   6.916    122
       2707.40   6.775    254
       2698.85   6.754    205
        823.12   2.060   1000
    

in DMSO-d6



KBr disc



nujol mull