1193-10-8

3-甲基-3-环丁烯砜(1193-10-8)质谱(MS)

产品名称:3-甲基-3-环丁烯砜

CAS:1193-10-8

分子式:C5H8O2S

分子量: 132.18

InChI:InChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3

InChIKey: FAYFWMOSHFCQPG-UHFFFAOYSA-N

Smiles:C1S(=O)(=O)CC=C1C

Mass

MS-NW-4629          
3-methyl-2,5-dihydrothiophene 1,1-dioxide
C5H8O2S             (Mass of molecular ion:    132)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.6
      26.0       4.0
      27.0      29.8
      28.0       2.8
      29.0       2.9
      31.0       2.1
      32.0       4.2
      37.0       4.5
      38.0       8.1
      39.0      52.7
      40.0      35.8
      41.0      33.8
      42.0      19.6
      48.0      44.5
      49.0       1.8
      50.0       7.6
      51.0      10.6
      52.0       5.8
      53.0      83.2
      54.0       3.6
      61.0       2.0
      62.0       2.8
      63.0       3.4
      64.0      90.4
      65.0       9.4
      66.0       6.1
      67.0     100.0
      68.0      79.8
      69.0       4.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₈ O₂ S	0.038 g : 0.5 ml CDCl₃
3-methyl-2,5-dihydrothiophene 1,1-dioxide

    Assign.     Shift(ppm)

      A             5.682
      B             3.79
      C             3.67
      D             1.885

     Hz     ppm     Int.

    512.44   5.722    130
    511.63   5.713    154
    511.31   5.710    150
    510.81   5.704    171
    509.69   5.692    256
    508.88   5.683    198
    508.06   5.673    267
    506.88   5.660    174
    506.06   5.651    150
    505.31   5.643    135
    342.75   3.828    202
    341.44   3.813    326
    339.94   3.796    442
    339.19   3.788    450
    338.75   3.783    446
    337.56   3.770    460
    335.81   3.750    261
    335.00   3.741    298
    332.88   3.717    171
    331.38   3.701    352
    330.38   3.689    520
    329.38   3.678    637
    328.38   3.667    663
    327.69   3.659    571
    326.75   3.649    440
    325.50   3.635    237
    324.31   3.622     84
    172.75   1.929    204
    171.81   1.919    466
    170.63   1.906    730
    170.25   1.901    747
    169.56   1.894   1000
    169.06   1.888    828
    168.44   1.881    856
    167.94   1.876    970
    167.25   1.868    667
    166.81   1.863    665
    165.63   1.850    416
    164.50   1.837    203

in CDCl3