109-79-5

丁硫醇(109-79-5)紅外圖譜(IR1)

產(chǎn)品名稱:丁硫醇

CAS:109-79-5

分子式:C4H10S

分子量: 90.19

InChI:InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3

InChIKey: WQAQPCDUOCURKW-UHFFFAOYSA-N

Smiles:C(S)CCC

Mass

MS-NW-3305          
1-butanethiol
C4H10S              (Mass of molecular ion:     90)

   Source Temperature: 290 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       2.6
      27.0      23.0
      28.0      11.4
      29.0      26.7
      34.0       1.2
      35.0       5.2
      38.0       1.2
      39.0      10.9
      40.0       3.0
      41.0      73.9
      42.0       4.7
      43.0      12.3
      45.0       7.6
      46.0       6.4
      47.0      28.7
      48.0       5.3
      49.0       2.2
      50.0       1.2
      51.0       1.1
      53.0       1.7
      54.0       1.0
      55.0      12.4
      56.0     100.0
      57.0      22.6
      58.0       2.2
      59.0       3.0
      60.0       2.4
      61.0      19.3
      62.0       1.3
      90.0      57.1
      91.0       3.3
      92.0       2.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₀ S	0.04 ml : 0.5 ml CDCl₃
1-butanethiol

    Assign.     Shift(ppm)

      A             2.524
      B             1.59
      C             1.43
      D             1.322
      E             0.919

     Hz     ppm     Int.

    238.06   2.659     83
    237.06   2.647    101
    236.00   2.636     46
    235.38   2.629     42
    230.19   2.571    335
    228.00   2.546     63
    225.31   2.516     92
    223.69   2.498    307
    222.88   2.489    356
    218.00   2.435     47
    216.31   2.416    165
    215.63   2.408    154
    157.00   1.754     50
    154.06   1.721     39
    152.69   1.705     56
    150.94   1.686    115
    148.63   1.660    112
    144.69   1.616    166
    143.50   1.603    178
    142.75   1.594    187
    140.63   1.571    230
    137.25   1.533    259
    136.50   1.525    272
    135.50   1.513    225
    134.19   1.499    189
    133.31   1.489    289
    132.44   1.479    134
    131.50   1.469    160
    130.94   1.463    191
    130.25   1.455    201
    129.88   1.451    207
    128.56   1.436    165
    127.50   1.424    101
    125.44   1.401    573
    123.63   1.381    117
    121.69   1.359    177
    120.44   1.345     60
    119.38   1.333     63
    118.00   1.318    510
    117.56   1.313    485
    116.31   1.299     99
    115.31   1.288    133
    113.19   1.264     39
    110.13   1.230    402
     88.38   0.987    407
     87.63   0.979    365
     85.56   0.956    123
     84.19   0.941     73
     83.13   0.929     79
     81.69   0.913   1000
     79.81   0.892    208
     79.06   0.883    207
     75.50   0.844    150
     74.25   0.830    178
     72.56   0.811     95

in CDCl3