773-64-8

2,4,6-三甲基苯磺酰氯(773-64-8)质谱(MS)

产品名称:2,4,6-三甲基苯磺酰氯

CAS:773-64-8

分子式:C9H11ClO2S

分子量: 218.7

InChI:InChI=1S/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3

InChIKey: PVJZBZSCGJAWNG-UHFFFAOYSA-N

Smiles:C1(S(Cl)(=O)=O)=C(C)C=C(C)C=C1C

Mass

MS-NW-2315          
2-mesitylenesulfonyl chloride
C9H11ClO2S          (Mass of molecular ion:    218)

   Source Temperature: 290 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      17.0       2.1
      18.0      10.9
      27.0       5.1
      28.0       3.6
      32.0       1.1
      36.0       2.6
      38.0       1.1
      39.0      10.2
      40.0       1.4
      41.0       9.8
      44.0       1.1
      45.0       3.3
      48.0       7.0
      50.0       3.0
      51.0       8.3
      52.0       3.0
      53.0       4.8
      57.5       2.1
      58.0       2.1
      59.0       1.3
      62.0       1.4
      63.0       4.8
      64.0      16.4
      65.0       6.7
      74.0       1.4
      75.0       1.5
      76.0       1.3
      77.0      15.5
      78.0       6.5
      79.0       7.5
      89.0       1.7
      91.0      26.9
      92.0       3.5
      93.0       3.7
      97.0       1.7
     102.0       2.1
     103.0      15.0
     104.0       7.6
     105.0      49.0
     106.0       5.8
     115.0       8.2
     116.0       2.4
     117.0      21.8
     118.0      24.1
     119.0     100.0
     120.0      40.9
     121.0       3.8
     134.0       9.9
     135.0       2.5
     137.0       2.7
     139.0       1.8
     149.0       1.0
     150.0       2.2
     151.0       1.3
     152.0       3.2
     153.0       2.8
     154.0       3.9
     155.0       1.2
     156.0       1.3
     165.0       6.7
     166.0       1.0
     182.0       1.3
     183.0      22.5
     184.0       2.7
     185.0       1.3
     198.0       2.8
     200.0       2.6
     218.0      23.1
     219.0       2.5
     220.0       8.7
     221.0       1.0
     270.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₁ Cl O₂ S	0.050 g : 0.5 ml CDCl₃
2-mesitylenesulfonyl chloride

    Assign.     Shift(ppm)

      A             7.02
      B             2.72
      C             2.34

     Hz     ppm     Int.

    629.38   7.028    208
    628.75   7.021    200
    243.44   2.719   1000
    209.81   2.343    458

CCl4 solution

KBr disc

nujol mull

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