CHLOROMETHYL PHENYL SULFONE(7205-98-3) ¹³C NMR

Product NameCHLOROMETHYL PHENYL SULFONE

CAS 7205-98-3

Molecular FormulaC7H7ClO2S

Molecular Weight190.65

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

InChIKey NXAIQSVCXQZNRY-UHFFFAOYSA-N

SmilesC1(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

¹H NMR	399.65 MHz
C₇H₇ClO₂S	0.040 g : 0.5 ml CDCl₃
(chloromethylsulfonyl)benzene

    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