75-33-2

异丙硫醇(75-33-2)核磁图(¹³CNMR)

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

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

¹H NMR	300 MHz
C₃ H₈ S	0.04 ml : 0.5 ml CDCl₃
2-propanethiol

    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