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80-41-1

对甲苯磺酸-β-氯乙酯(80-41-1)核磁图(1HNMR)

分子式:C9H11ClO3S

分子量: 234.7

InChI:InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3

InChIKey: ZXNMIUJDTOMBPV-UHFFFAOYSA-N

Smiles:C(OS(C1=CC=C(C)C=C1)(=O)=O)CCl

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    Mass

    MS-IW-0054          
    2-chloroethyl p-toluenesulfonate
    C9H11ClO3S          (Mass of molecular ion:    234)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       3.5
          28.0       1.3
          39.0       5.1
          41.0       1.5
          50.0       1.3
          51.0       2.4
          62.0       1.3
          63.0       6.9
          64.0       1.3
          65.0      17.0
          66.0       1.0
          77.0       2.0
          79.0       1.3
          89.0       4.6
          90.0       2.8
          91.0      83.4
          92.0       8.4
         107.0       3.1
         108.0       2.0
         139.0       1.1
         155.0     100.0
         156.0       8.6
         157.0       5.1
         172.0      13.2
         173.0       1.1
         185.0       6.5
         234.0      15.2
         235.0       1.7
         236.0       5.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H11 Cl O3 S 0.05 ml : 0.5 ml CDCl3
    2-chloroethyl p-toluenesulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.799 B 7.369 C 4.234 D 3.656 E 2.448

         Hz     ppm     Int.
    

       3123.17   7.815     86
       3121.22   7.810    411
       3119.26   7.805    149
       3114.62   7.794    167
       3112.67   7.789    438
       3110.96   7.785     82
       2948.73   7.379    342
       2940.80   7.359    306
       2940.19   7.357    289
       1697.88   4.249    385
       1692.14   4.235    578
       1686.28   4.220    408
       1466.67   3.670    418
       1460.82   3.656    596
       1455.08   3.641    377
        978.39   2.449   1000
    

in CDCl3

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liquid film

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