ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>1193-10-8更多图谱> 3-甲基-3-环丁烯砜(1193-10-8)质谱(MS)

1193-10-8

3-甲基-3-环丁烯砜(1193-10-8)质谱(MS)

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

  • 图谱
    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

  • 图谱

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

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

×