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7605-28-9

苯磺酰乙腈(7605-28-9)核磁圖(1HNMR)

產(chǎn)品名稱(chēng):苯磺酰乙腈

CAS:7605-28-9

分子式:C8H7NO2S

分子量: 181.21

InChI:InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2

InChIKey: ZFCFFNGBCVAUDE-UHFFFAOYSA-N

Smiles:C(#N)CS(C1=CC=CC=C1)(=O)=O

  • 圖譜
    Mass 

    MS-NW-9603          
(phenylsulfonyl)acetonitrile
C8H7NO2S            (Mass of molecular ion:    181)


       Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          18.0       2.0
      27.0       1.0
      39.0       1.6
      50.0       5.9
      51.0      19.7
      74.0       2.0
      75.0       1.3
      76.0       1.5
      77.0     100.0
      78.0       7.1
     141.0      51.4
     142.0       3.9
     143.0       2.7
     181.0       8.3
     182.0       1.1

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H7 N O2 S 0.039 g : 0.5 ml CDCl3
    (phenylsulfonyl)acetonitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.039
      B             7.785
      C             7.666
      D             4.108
  

         Hz     ppm     Int.


       3219.12   8.055     52
   3217.29   8.051    218
   3216.06   8.048    232
   3210.82   8.035     88
   3208.86   8.030    276
   3207.52   8.026    228
   3121.22   7.810     39
   3120.00   7.807     65
   3118.77   7.804     39
   3114.38   7.793     55
   3112.55   7.789    144
   3110.72   7.784     55
   3106.32   7.773     69
   3104.98   7.770    112
   3103.76   7.767     61
   3073.36   7.691     59
   3071.53   7.686    194
   3069.95   7.682     89
   3063.48   7.666    258
   3062.26   7.663     92
   3057.86   7.652     62
   3056.03   7.647    122
   3055.42   7.646     94
   3054.44   7.643     41
   1646.12   4.119     32
   1641.72   4.108   1000

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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