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返回ChemicalBook首頁>CAS數據庫列表>80-41-1更多圖譜> 對甲苯磺酸-β-氯乙酯(80-41-1)紅外圖譜(IR1)

80-41-1

對甲苯磺酸-β-氯乙酯(80-41-1)紅外圖譜(IR1)

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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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