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77-79-2

3-环丁烯砜(77-79-2)质谱(MS)

产品名称:3-环丁烯砜

CAS:77-79-2

分子式:C4H6O2S

分子量: 118.15

InChI:InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2

InChIKey: MBDNRNMVTZADMQ-UHFFFAOYSA-N

Smiles:C1S(=O)(=O)CC=C1

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    Mass

    MS-NW-5046          
    2,5-dihydrothiophene 1,1-dioxide
    C4H6O2S             (Mass of molecular ion:    118)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.2
          25.0       1.7
          25.5       2.1
          26.0      12.0
          27.0      40.2
          28.0      32.3
          32.0       6.3
          37.0       3.5
          38.0       4.8
          39.0      82.6
          40.0       2.8
          48.0      41.2
          49.0       6.1
          50.0      19.6
          51.0      18.6
          52.0       9.3
          53.0      55.8
          54.0      92.9
          55.0       4.0
          64.0     100.0
          66.0       5.0
          76.0       1.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H6 O2 S 0.039 g : 0.5 ml CDCl3
    2,5-dihydrothiophene 1,1-dioxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.751 B 6.079

         Hz     ppm     Int.
    

        547.13   6.110     26
        545.00   6.086    237
        544.56   6.081    349
        544.06   6.075    252
        542.19   6.054     38
        336.25   3.755   1000
        335.75   3.749    982
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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