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107-03-9

丙硫醇(107-03-9)质谱(MS)

产品名称:丙硫醇

CAS:107-03-9

分子式:C3H8S

分子量: 76.16

InChI:InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

InChIKey: SUVIGLJNEAMWEG-UHFFFAOYSA-N

Smiles:C(S)CC

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    Mass

    MS-NW-3863          
    1-propanethiol
    C3H8S               (Mass of molecular ion:     76)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.9
          18.0       4.5
          26.0       4.7
          27.0      45.4
          28.0       3.2
          29.0       7.9
          32.0       1.6
          33.0       2.2
          34.0       1.8
          35.0       6.9
          37.0       2.5
          38.0       4.0
          39.0      23.1
          40.0       7.0
          41.0      75.4
          42.0      84.5
          43.0      92.2
          44.0       3.3
          45.0      17.6
          46.0      20.6
          47.0      87.9
          48.0      10.3
          49.0       4.2
          57.0       1.7
          58.0       4.0
          59.0       3.7
          60.0       1.2
          61.0      11.7
          69.0       1.6
          71.0       1.2
          75.0       1.5
          76.0     100.0
          77.0       4.4
          78.0       4.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H8 S 0.04 ml : 0.5 ml CDCl3
    1-propanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.496 B 1.63 C 1.325 D 0.986

         Hz     ppm     Int.
    

        236.00   2.636    127
        235.06   2.625    145
        228.06   2.547    392
        221.19   2.470    490
        214.25   2.393    215
        213.44   2.384    220
        164.38   1.836     43
        158.13   1.766     85
        157.00   1.754    206
        150.75   1.684    200
        150.06   1.676    266
        149.31   1.668    236
        143.56   1.603    230
        142.31   1.589    316
        135.63   1.515    216
        129.44   1.446     56
        128.69   1.437     70
        126.06   1.408    379
        118.38   1.322    395
        116.25   1.299     40
        110.50   1.234    277
         95.69   1.069    315
         94.94   1.061    601
         88.19   0.985   1000
         87.56   0.978    737
         81.44   0.910    207
         80.63   0.901    365
         79.50   0.888    199
    

in CDCl3

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liquid film

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