2,3-DICHLOROPROPIONAMIDE(19433-84-2) ¹³C NMR

Product Name2,3-DICHLOROPROPIONAMIDE

CAS 19433-84-2

Molecular FormulaC3H5Cl2NO

Molecular Weight141.98

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

InChIKey SQGUQSRDWXDLIH-UHFFFAOYSA-N

SmilesC(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

¹H NMR	399.65 MHz
C₃ H₅ Cl₂ N O	0.037 g : 0.5 ml DMSO-d₆
2,3-dichloropropionamide

    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