1191-43-1

1,6-己二硫醇(1191-43-1)質(zhì)譜(MS)

產(chǎn)品名稱:1,6-己二硫醇

CAS:1191-43-1

分子式:C6H14S2

分子量: 150.31

InChI:InChI=1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

InChIKey: SRZXCOWFGPICGA-UHFFFAOYSA-N

Smiles:C(S)CCCCCS

Mass

MS-NW-3799          
1,6-hexanedithiol
C6H14S2             (Mass of molecular ion:    150)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.1
      26.0       1.3
      27.0      18.1
      28.0       2.2
      29.0      11.3
      33.0       1.2
      34.0       2.2
      35.0       5.6
      39.0      14.5
      40.0       2.2
      41.0      60.8
      42.0       8.1
      43.0       7.3
      44.0       1.5
      45.0      13.7
      46.0       8.6
      47.0      50.8
      48.0       1.9
      49.0       2.4
      51.0       1.0
      53.0       5.5
      54.0      31.3
      55.0      64.8
      56.0       5.7
      57.0       2.4
      58.0       2.1
      59.0       5.6
      60.0      26.9
      61.0      27.6
      62.0       2.4
      63.0       1.4
      67.0      42.3
      68.0       4.9
      69.0      14.9
      70.0       2.7
      73.0       8.6
      74.0       4.9
      75.0       3.9
      79.0       1.2
      81.0       5.5
      82.0      27.0
      83.0      26.3
      84.0       2.0
      85.0       1.0
      86.0       1.1
      87.0     100.0
      88.0      10.0
      89.0       5.8
     101.0      10.4
     103.0       1.1
     115.0       1.9
     116.0      41.8
     117.0       6.3
     118.0       2.4
     150.0       7.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₄ S₂	0.04 ml : 0.5 ml CDCl₃
1,6-hexanedithiol

    Assign.     Shift(ppm)

      A             2.517
      B             1.62
      C             1.46
      D             1.346

     Hz     ppm     Int.

    237.56   2.653    111
    236.63   2.643    123
    229.94   2.568    479
    223.31   2.494    518
    222.69   2.487    508
    216.06   2.413    234
    215.38   2.405    268
    158.50   1.770     51
    157.38   1.758     48
    152.06   1.698    158
    150.69   1.683    147
    148.31   1.656    135
    146.06   1.631    215
    144.56   1.615    220
    143.19   1.599    213
    140.13   1.565    214
    137.75   1.539    244
    132.63   1.481    331
    130.50   1.458    428
    128.69   1.437    384
    127.38   1.423   1000
    125.69   1.404    300
    119.88   1.339    885
    119.44   1.334    824
    116.44   1.301     86
    114.25   1.276     55
    111.94   1.250    583

in CDCl3