1600-44-8

四甲基亚砜(1600-44-8)红外图谱(IR1)

产品名称:四甲基亚砜

CAS:1600-44-8

分子式:C4H8OS

分子量: 104.17

InChI:InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2

InChIKey: ISXOBTBCNRIIQO-UHFFFAOYSA-N

Smiles:C1S(=O)CCC1

Mass

MS-NW-1148          
tetramethylene sulfoxide
C4H8OS              (Mass of molecular ion:    104)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.6
      26.0       3.3
      27.0      14.7
      28.0       7.5
      29.0      13.6
      31.0       1.0
      32.0       2.0
      38.0       1.1
      39.0      12.3
      40.0       2.0
      41.0      18.8
      42.0       6.8
      43.0       1.0
      45.0       6.6
      46.0       4.3
      47.0       7.7
      48.0       6.0
      49.0       1.0
      50.0       3.0
      51.0       1.4
      53.0       4.6
      54.0       5.2
      55.0     100.0
      56.0       8.3
      58.0       1.4
      59.0       3.8
      60.0       2.9
      61.0       1.2
      63.0      31.0
      65.0       1.5
      76.0       3.6
      85.0       1.8
      87.0       3.5
      88.0       1.1
     104.0      54.1
     105.0       3.1
     106.0       2.6

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₈ O S	0.05 ml : 0.5 ml CDCl₃
tetramethylene sulfoxide

    Assign.     Shift(ppm)

      A             2.880
      B     *1      2.43
      C     *1      2.05
     
     90MHZ : HSP-00-262

     Hz     ppm     Int.

   1169.43   2.927     30
   1166.75   2.920     35
   1163.33   2.911     98
   1162.23   2.909    107
   1160.89   2.905    119
   1157.71   2.897    652
   1156.13   2.893    533
   1153.44   2.887    413
   1152.59   2.884    583
   1151.49   2.882   1000
   1150.63   2.880    950
   1149.78   2.877    828
   1145.39   2.866    628
   1143.43   2.862    735
   1139.77   2.852    121
   1138.67   2.850    115
   1136.96   2.845     69
   1134.89   2.840     44
   1133.18   2.836     38
    993.53   2.486     56
    990.84   2.480     51
    990.11   2.478     53
    989.38   2.476     47
    988.89   2.475     48
    987.30   2.471     89
    985.11   2.465     74
    983.03   2.460    126
    982.30   2.458    131
    980.83   2.455    190
    980.35   2.454    189
    977.91   2.447    162
    977.29   2.446    208
    975.10   2.440    292
    973.63   2.437    192
    973.02   2.435    191
    972.05   2.433    239
    970.83   2.430    222
    970.34   2.428    240
    969.60   2.427    267
    967.04   2.420    233
    965.58   2.417    136
    963.26   2.411    245
    961.43   2.406    109
    960.82   2.405    105
    959.59   2.402     72
    958.86   2.400     89
    957.76   2.397     80
    956.67   2.394     58
    955.81   2.392     57
    954.96   2.390     75
    953.25   2.386     44
    952.03   2.383     52
    951.29   2.381     68
    840.33   2.103     76
    839.84   2.102     65
    839.23   2.100     58
    836.79   2.094     71
    835.57   2.091    113
    834.23   2.088     64
    833.50   2.086     67
    832.28   2.083     80
    830.44   2.078    196
    829.71   2.077    192
    828.74   2.074    234
    825.93   2.067    191
    825.32   2.066    188
    824.10   2.063    272
    821.78   2.057    310
    819.21   2.050    302
    817.50   2.046    256
    815.80   2.042    191
    813.35   2.036    213
    810.91   2.030    171
    808.35   2.023     59
    807.50   2.021     64
    806.64   2.019     60
    805.54   2.016    103
    804.57   2.014     62
    803.96   2.012     55
    801.64   2.006     56
    800.78   2.004     56

¹H NMR	89.56 MHz
C₄ H₈ O S	0.02 ml : 0.5 ml CDCl₃
tetramethylene sulfoxide

    Assign.     Shift(ppm)

      A             2.87
      B          2.46 to 2.04
     
     400MHZ : HSP-44-759

     Hz     ppm     Int.

    264.88   2.958    359
    257.38   2.874   1000
    250.75   2.800    749
    224.81   2.511    191
    213.81   2.388    280
    202.94   2.266    157
    188.88   2.109    291
    182.94   2.043    235

in CDCl3