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75-33-2

异丙硫醇(75-33-2)红外图谱(IR1)

产品名称:异丙硫醇

CAS:75-33-2

分子式:C3H8S

分子量: 76.16

InChI:InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3

InChIKey: KJRCEJOSASVSRA-UHFFFAOYSA-N

Smiles:CC(S)C

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    Mass

    MS-NW-3853          
    2-propanethiol
    C3H8S               (Mass of molecular ion:     76)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.6
          18.0       1.5
          26.0       2.2
          27.0      38.0
          28.0       1.3
          32.0       1.0
          33.0       1.9
          34.0       1.5
          35.0      10.0
          37.0       2.1
          38.0       3.7
          39.0      19.1
          40.0       4.0
          41.0      64.2
          42.0      14.8
          43.0     100.0
          44.0       3.4
          45.0       6.0
          46.0       1.1
          47.0       4.8
          57.0       1.6
          58.0       4.1
          59.0       6.8
          60.0       2.6
          61.0      36.0
          62.0       1.7
          63.0       1.8
          75.0       1.8
          76.0      65.0
          77.0       3.0
          78.0       3.4
          89.0       1.0
    

parameter in CDCl3

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    1H NMR 300 MHz
    C3 H8 S 0.04 ml : 0.5 ml CDCl3
    2-propanethiol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.137 D(B) 1.581 D(C) 1.336 J(A,B) 5.69 J(A,C) 6.68 J(B,C) 0.0

         Hz     ppm     Int.
    

        957.43   3.191     15
        951.67   3.172     20
        950.75   3.169     37
        945.02   3.150     43
        944.10   3.147     53
        938.35   3.128     55
        937.43   3.125     44
        931.69   3.106     40
        930.78   3.103     21
        925.04   3.083     16
        477.14   1.590    169
        471.45   1.571    165
        404.13   1.347   1000
        397.45   1.325    975
    

in CDCl3

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liquid film

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