17639-93-9

Methyl 2-chloropropionate(17639-93-9) ¹³C NMR

Product NameMethyl 2-chloropropionate

CAS 17639-93-9

Molecular FormulaC4H7ClO2

Molecular Weight122.55

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

InChIKey JLEJCNOTNLZCHQ-UHFFFAOYSA-N

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

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¹HNMR

¹³CNMR

Methyl 2-chloropropionate(17639-93-9) <sup>13</sup>C NMR
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

Methyl 2-chloropropionate(17639-93-9) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₄ H₇ Cl O₂	0.05 ml : 0.5 ml CDCl₃
methyl 2-chloropropionate

    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