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2,3-二氯-1-丙醇(616-23-9)核磁图(1HNMR)

产品名称:2,3-二氯-1-丙醇

CAS:616-23-9

分子式:C3H6Cl2O

分子量: 128.99

InChI:InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2

InChIKey: ZXCYIJGIGSDJQQ-UHFFFAOYSA-N

Smiles:C(O)C(Cl)CCl


  • Mass

    MS-NW-4368          
    2,3-dichloro-1-propanol
    C3H6Cl2O            (Mass of molecular ion:    128)
    

       Source Temperature: 230 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       2.2
          26.0       3.6
          27.0      14.2
          28.0       2.2
          29.0       9.2
          31.0      32.5
          36.0       1.6
          37.0       1.0
          38.0       1.2
          39.0       3.8
          43.0       4.9
          49.0       4.0
          51.0       1.2
          55.0       1.5
          57.0       7.9
          61.0       5.1
          62.0     100.0
          63.0       8.0
          64.0      47.8
          65.0       3.5
          66.0       6.7
          75.0       3.1
          77.0       1.0
          79.0       1.8
          91.0       1.0
          92.0       6.0
          94.0       2.0
         121.0       2.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C3 H6 Cl2 O 0.04 ml : 0.5 ml CDCl3
    2,3-dichloro-1-propanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.16 B *1 3.97 C *1 3.81 D 2.10

         Hz     ppm     Int.
    

        378.63   4.228     63
        374.75   4.185     82
        373.75   4.174    121
        370.31   4.135    111
        368.19   4.112     68
        367.50   4.104     99
        364.00   4.065    103
        355.38   3.969   1000
        351.31   3.923    440
        350.75   3.917    406
        344.00   3.842    746
        337.81   3.772    460
        337.06   3.764    422
        187.88   2.098    432
    

in CDCl3



liquid film



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