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19433-84-2

2,3-二氯丙酰胺(19433-84-2)核磁图(13CNMR)

产品名称:2,3-二氯丙酰胺

CAS:19433-84-2

分子式:C3H5Cl2NO

分子量: 141.98

InChI:InChI=1S/C3H5Cl2NO/c4-1-2(5)3(6)7/h2H,1H2,(H2,6,7)

InChIKey: SQGUQSRDWXDLIH-UHFFFAOYSA-N

Smiles:C(N)(=O)C(Cl)CCl

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    Mass

    MS-IW-0831          
    2,3-dichloropropionamide
    C3H5Cl2NO           (Mass of molecular ion:    141)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          17.0       1.1
          18.0       6.2
          26.0       2.2
          27.0       7.2
          28.0       1.7
          36.0       3.2
          38.0       1.1
          43.0       1.0
          44.0      72.4
          45.0       1.3
          49.0       1.1
          55.0       2.9
          61.0       8.0
          62.0     100.0
          63.0       5.6
          64.0      33.9
          65.0       1.0
          70.0       3.9
          71.0       1.0
          89.0       5.0
          91.0       1.6
          97.0       2.1
          98.0       1.5
          99.0       1.4
         105.0      25.8
         106.0      35.9
         107.0       9.6
         108.0      11.7
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C3 H5 Cl2 N O 0.037 g : 0.5 ml DMSO-d6
    2,3-dichloropropionamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.93 B *1 7.58 C 4.590 D *2 3.974 E *2 3.918

         Hz     ppm     Int.
    

       3169.10   7.930    236
       3031.77   7.587    239
       3031.46   7.586    239
       1841.43   4.608    561
       1835.78   4.594    723
       1833.95   4.589    658
       1828.16   4.575    623
       1599.58   4.003    472
       1592.10   3.984    441
       1588.75   3.976   1000
       1581.12   3.957    967
       1577.00   3.946     28
       1576.08   3.944     32
       1572.27   3.935    881
       1566.62   3.920    922
       1561.43   3.907    451
       1555.63   3.893    391
    

in DMSO-d6

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KBr disc

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nujol mull

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