2-丁硫醇(513-53-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-丁硫醇

CAS:513-53-1

分子式:C4H10S

分子量: 90.19

InChI:InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChIKey: LOCHFZBWPCLPAN-UHFFFAOYSA-N

Smiles:CC(S)CC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3790          
2-butanethiol
C4H10S              (Mass of molecular ion:     90)

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

      15.0       1.9
      26.0       3.6
      27.0      27.5
      28.0       6.9
      29.0      71.0
      30.0       1.6
      33.0       1.6
      34.0       1.7
      35.0       9.6
      37.0       1.1
      38.0       1.8
      39.0      18.0
      40.0       2.5
      41.0      96.3
      42.0       6.5
      43.0       4.1
      44.0       1.2
      45.0       8.1
      46.0       1.9
      47.0      13.6
      49.0       1.3
      50.0       1.9
      51.0       1.8
      53.0       2.9
      55.0      12.5
      56.0      21.0
      57.0     100.0
      58.0       4.7
      59.0       7.9
      60.0      12.5
      61.0      79.5
      62.0       3.4
      63.0       3.7
      75.0       5.5
      76.0       2.8
      90.0      75.1
      91.0       4.1
      92.0       3.5

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             2.863
      B             1.58
      C             1.46
      D             1.322
      E             0.983

     Hz     ppm     Int.

    270.19   3.017     35
    264.06   2.949     78
    257.25   2.873    107
    250.88   2.802     87
    244.13   2.726     45
    157.31   1.757     41
    154.63   1.727     48
    151.38   1.691     40
    150.81   1.684     50
    149.19   1.666    131
    148.38   1.657     60
    147.31   1.645    159
    145.00   1.620     44
    143.19   1.599    145
    141.44   1.580    231
    140.31   1.567    210
    137.56   1.536     52
    135.38   1.512    140
    133.25   1.488    474
    128.50   1.435    156
    127.50   1.424    313
    127.13   1.420    355
    125.63   1.403     48
    121.63   1.359   1000
    119.63   1.336     79
    117.94   1.317     31
    117.50   1.312     32
    115.06   1.285    899
     95.31   1.065    208
     94.50   1.056    402
     93.75   1.047    281
     87.63   0.979    725
     87.00   0.972    432
     80.88   0.904    124
     80.06   0.894    226
     78.81   0.880    146

in CDCl3