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115-20-8

2,2,2-三氯乙醇(115-20-8)红外图谱(IR1)

产品名称:2,2,2-三氯乙醇

CAS:115-20-8

分子式:C2H3Cl3O

分子量: 149.4

InChI:InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2

InChIKey: KPWDGTGXUYRARH-UHFFFAOYSA-N

Smiles:C(O)C(Cl)(Cl)Cl

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    Mass

    MS-NW-4410          
    2,2,2-trichloroethanol
    C2H3Cl3O            (Mass of molecular ion:    148)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.2
          26.0       1.6
          28.0       1.5
          29.0       4.9
          31.0     100.0
          35.0       1.3
          36.0       1.3
          42.0       1.6
          47.0       3.0
          48.0       3.1
          49.0      13.3
          50.0       1.1
          51.0       4.3
          60.0       1.0
          61.0       1.3
          76.0       1.0
          77.0      10.6
          79.0       3.3
          82.0       3.4
          83.0       1.7
          84.0       2.3
          85.0       1.1
         113.0       4.9
         115.0       3.3
         117.0       2.1
         119.0       1.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C2 H3 Cl3 O 0.02 ml : 0.5 ml CDCl3
    2,2,2-trichloroethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.154 B 2.96

         Hz     ppm     Int.
    

        372.06   4.155   1000
        264.56   2.954     61
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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