814-67-5

1,2-丙二硫醇(814-67-5)質(zhì)譜(MS)

產(chǎn)品名稱:1,2-丙二硫醇

CAS:814-67-5

分子式:C3H8S2

分子量: 108.23

InChI:InChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3

InChIKey: YGKHJWTVMIMEPQ-UHFFFAOYSA-N

Smiles:C(S)C(S)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3794          
1,2-propanedithiol
C3H8S2              (Mass of molecular ion:    108)

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

      15.0       1.6
      18.0       1.1
      26.0       1.8
      27.0      13.1
      29.0       1.4
      32.0       3.3
      33.0       4.2
      34.0       7.3
      35.0      12.4
      37.0       2.0
      38.0       2.7
      39.0      22.7
      40.0       3.4
      41.0      80.4
      42.0       7.5
      43.0       1.6
      44.0       2.0
      45.0      24.1
      46.0       8.6
      47.0      39.4
      48.0       2.0
      49.0       2.4
      57.0       1.8
      58.0       5.8
      59.0      20.5
      60.0      26.5
      61.0     100.0
      62.0       4.2
      63.0       4.8
      64.0       1.0
      69.0       1.4
      71.0       2.0
      73.0       4.6
      74.0      50.6
      75.0      21.5
      76.0       3.3
      77.0       2.0
     108.0      45.7
     109.0       2.5
     110.0       4.4
     121.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₈ S₂	0.04 ml : 0.5 ml CDCl₃
1,2-propanedithiol

    Assign.     Shift(ppm)

      A             3.02
      B     *1      2.73
      C     *1      2.69
      D             1.832
      E             1.641
      F             1.400

     Hz     ppm     Int.

    286.44   3.199     47
    280.56   3.133     73
    279.63   3.123    100
    274.00   3.060    119
    273.06   3.049    100
    267.13   2.983    136
    266.13   2.972     65
    260.69   2.911     96
    254.81   2.846     36
    250.19   2.794    578
    244.69   2.733    194
    243.25   2.717    143
    242.06   2.703    429
    241.38   2.696    360
    235.63   2.631    375
    167.56   1.871    317
    167.06   1.866    284
    161.00   1.798    296
    160.50   1.793    260
    154.56   1.726    407
    146.56   1.637    325
    145.69   1.627    255
    137.69   1.538    272
    128.81   1.439   1000
    122.25   1.366    986
    119.44   1.334     36

in CDCl3