598-78-7

2-Chloropropionic acid(598-78-7) ¹³C NMR

Product Name2-Chloropropionic acid

CAS 598-78-7

Molecular FormulaC3H5ClO2

Molecular Weight108.52

InChIInChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

InChIKey GAWAYYRQGQZKCR-UHFFFAOYSA-N

SmilesC(O)(=O)C(Cl)C

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2-Chloropropionic acid(598-78-7) <sup>13</sup>C NMR
Mass

MS-NW-2954          
2-chloropropionic acid
C3H5ClO2            (Mass of molecular ion:    108)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.3
      15.0       2.9
      18.0       1.6
      25.0       2.3
      26.0      22.5
      27.0      78.7
      28.0     100.0
      29.0      47.7
      30.0       1.5
      35.0       1.7
      36.0      11.6
      38.0       3.7
      42.0       1.1
      43.0       5.1
      44.0       3.4
      45.0      28.4
      46.0       1.2
      49.0       1.7
      53.0       1.1
      55.0       9.1
      56.0       3.7
      57.0       1.5
      61.0       2.1
      62.0       7.2
      63.0      46.9
      64.0      62.7
      65.0      16.2
      66.0      18.8
      72.0       2.1
      73.0       6.5
      74.0       3.3
      91.0       1.2
     108.0       1.3

parameter in CDCl3

2-Chloropropionic acid(598-78-7) <sup>13</sup>C NMR

¹H NMR	300 MHz
C₃ H₅ Cl O₂	0.02 ml : 0.5 ml CDCl₃
2-chloropropionic acid

    Parameter     ppm  Hz

      D(A)        11.5
     
      D(B)         4.453
      D(C)         1.742
       J(B,C)          6.99

     Hz     ppm     Int.

   3444.87  11.483    339
   1346.46   4.488     84
   1339.52   4.465    254
   1332.49   4.442    259
   1325.56   4.419     89
    526.12   1.754   1000
    519.18   1.731    983

in CDCl3