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623-98-3

亞硫酸二丙酯(623-98-3)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):亞硫酸二丙酯

CAS:623-98-3

分子式:C6H14O3S

分子量: 166.24

InChI:InChI=1S/C6H14O3S/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3

InChIKey: MAIQPVFXODAAIG-UHFFFAOYSA-N

Smiles:S(OCCC)(OCCC)=O

  • 圖譜
    Mass 

    MS-NW-5126          
dipropyl sulfite
C6H14O3S            (Mass of molecular ion:    166)


       Source Temperature: 230 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          27.0       9.7
      28.0       1.8
      29.0       4.0
      31.0       4.8
      39.0       2.5
      41.0      13.3
      42.0       5.8
      43.0     100.0
      44.0       3.1
      45.0       1.8
      55.0       1.7
      59.0       3.7
      61.0       1.8
      73.0       7.5
      83.0       3.8
      94.0       1.1
      95.0       1.1
     125.0       3.5

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C6 H14 O3 S 0.05 ml : 0.5 ml CDCl3
    dipropyl sulfite
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A     *1      3.998
      B     *1      3.902
      C             1.711
      D             0.980
  

         Hz     ppm     Int.


       1610.72   4.031    118
   1604.13   4.014    224
   1600.59   4.005    188
   1597.41   3.998    129
   1593.99   3.989    344
   1587.40   3.972    188
   1570.31   3.930    185
   1563.72   3.913    343
   1560.18   3.904    128
   1557.13   3.897    195
   1553.59   3.888    229
   1547.12   3.872    119
    701.29   1.755     76
    694.58   1.738    165
    693.85   1.737    227
    687.13   1.720    390
    686.40   1.718    300
    679.69   1.701    414
    673.10   1.685    226
    672.36   1.683    198
    665.77   1.666     79
    404.42   1.012     56
    399.17   0.999    647
    391.72   0.981   1000
    384.28   0.962    621

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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