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77-79-2

3-環(huán)丁烯砜(77-79-2)紅外圖譜(IR2)

產(chǎn)品名稱:3-環(huán)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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

CCl4 solution

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KBr disc

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nujol mull

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