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7205-98-3

氯甲基苯砜(7205-98-3)Raman光谱

产品名称:氯甲基苯砜

CAS:7205-98-3

分子式:C7H7ClO2S

分子量: 190.65

InChI:InChI=1S/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey: NXAIQSVCXQZNRY-UHFFFAOYSA-N

Smiles:C1(S(CCl)(=O)=O)=CC=CC=C1

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    Mass

    MS-KW-0277          
    (chloromethylsulfonyl)benzene
    C7H7ClO2S           (Mass of molecular ion:    190)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.4
          28.0       1.2
          39.0       2.3
          49.0       3.4
          50.0       7.0
          51.0      22.8
          52.0       1.1
          65.0       1.9
          74.0       2.2
          75.0       1.6
          76.0       1.7
          77.0     100.0
          78.0       6.9
          91.0       1.8
          97.0       1.9
         125.0       6.1
         141.0      58.9
         142.0       4.4
         143.0       3.0
         160.0       1.2
         190.0       9.5
         192.0       3.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7H7ClO2S 0.040 g : 0.5 ml CDCl3
    (chloromethylsulfonyl)benzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.983 B 7.734 C 7.622 D 4.554

         Hz     ppm     Int.
    

       3197.39   7.998     33
       3195.44   7.993    166
       3194.95   7.992    128
       3194.22   7.990    202
       3193.49   7.989     95
       3193.00   7.987     87
       3192.63   7.986     77
       3189.09   7.978     64
       3187.02   7.972    240
       3185.67   7.969    207
       3102.18   7.760     30
       3100.84   7.757     56
       3099.61   7.754     33
       3095.34   7.743     39
       3093.39   7.738    114
       3091.56   7.734     46
       3087.16   7.723     56
       3085.94   7.720     98
       3084.60   7.716     54
       3055.55   7.644     39
       3054.20   7.640    123
       3053.72   7.639    164
       3053.11   7.637     90
       3052.13   7.635     77
       3046.88   7.622    117
       3045.66   7.619    216
       3044.44   7.616     73
       3040.04   7.605     48
       3038.82   7.602     60
       3038.34   7.600    102
       3037.60   7.599     78
       3036.63   7.596     32
       1831.18   4.581     12
       1830.57   4.579     14
       1820.56   4.554   1000
       1810.43   4.529     12
    

in CDCl3

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KBr disk

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Nujol

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