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

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

¹H NMR	89.56 MHz
C₃ H₈ S	0.04 ml : 0.5 ml CDCl₃
1-propanethiol

    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