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637-89-8

4-羟基苯硫酚(637-89-8)核磁图(13CNMR)

产品名称:4-羟基苯硫酚

CAS:637-89-8

分子式:C6H6OS

分子量: 126.18

InChI:InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H

InChIKey: BXAVKNRWVKUTLY-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(S)C=C1

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    Mass

    MS-NW-9205          
    p-mercaptophenol
    C6H6OS              (Mass of molecular ion:    126)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          17.0       5.0
          18.0      23.5
          27.0       3.1
          28.0       1.9
          37.0       1.3
          38.0       2.4
          39.0       8.4
          40.0       1.0
          41.0       1.1
          44.0       1.0
          45.0       9.4
          47.0       1.0
          49.0       2.1
          50.0       2.6
          51.0       2.2
          53.0      10.1
          54.0       1.6
          55.0       4.2
          57.0       1.1
          58.0       2.0
          61.0       1.7
          62.0       3.5
          63.0       9.2
          64.0       2.4
          65.0       9.5
          66.0       3.0
          68.0       1.9
          69.0       9.4
          70.0       4.2
          71.0       4.8
          81.0       7.6
          82.0       7.3
          84.0       7.2
          85.0       1.8
          93.0       2.0
          94.0       4.3
          95.0       1.4
          96.0       1.7
          97.0      53.5
          98.0      12.5
          99.0       3.4
         100.0       2.0
         108.0       2.8
         111.0       1.2
         125.0      14.8
         126.0     100.0
         127.0       8.1
         128.0       7.4
         140.0       4.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H6 O S 0.05 ml : 0.5 ml CDCl3
    p-mercaptophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.162 B 6.692 C *1 5.1 D *1 3.4

         Hz     ppm     Int.
    

        650.38   7.262     93
        649.44   7.252    114
        648.50   7.241    122
        646.50   7.219    749
        644.25   7.194    289
        642.94   7.179     84
        642.00   7.169    106
        640.00   7.147    388
        637.69   7.121   1000
        635.50   7.096     96
        634.75   7.088    160
        633.00   7.068     48
        608.19   6.791    106
        607.63   6.785     82
        606.13   6.768    210
        603.25   6.736    996
        600.94   6.710    341
        599.31   6.692    135
        596.69   6.663    311
        595.06   6.645    326
        594.44   6.638    692
        591.44   6.604     94
    

in CDCl3

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liquid film

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