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2-氯丙酸甲酯(17639-93-9)核磁图(1HNMR)

产品名称:2-氯丙酸甲酯

CAS:17639-93-9

分子式:C4H7ClO2

分子量: 122.55

InChI:InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3

InChIKey: JLEJCNOTNLZCHQ-UHFFFAOYSA-N

Smiles:C(OC)(=O)C(Cl)C


  • Mass

    MS-IW-9106          
    methyl 2-chloropropionate
    C4H7ClO2            (Mass of molecular ion:    122)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0      16.6
          26.0       5.8
          27.0      47.0
          28.0      10.0
          29.0       4.7
          30.0       1.0
          31.0       5.1
          36.0       1.4
          41.0       1.4
          43.0      16.0
          45.0       1.2
          51.0       1.2
          53.0       1.0
          55.0       7.9
          56.0       2.9
          59.0      91.2
          60.0       2.4
          61.0       2.4
          62.0      10.5
          63.0     100.0
          64.0       5.9
          65.0      31.9
          79.0       1.9
          87.0      19.1
          91.0       8.3
          93.0       2.8
          97.0       1.3
         122.0       2.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C4 H7 Cl O2 0.05 ml : 0.5 ml CDCl3
    methyl 2-chloropropionate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.428 B 3.797 C 1.697

         Hz     ppm     Int.
    

       1780.03   4.454     80
       1773.19   4.437    217
       1766.24   4.420    217
       1759.28   4.403     79
       1517.46   3.797   1000
        681.64   1.706    704
        674.68   1.689    680
    

in CDCl3



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