3-Chloropropionyl chloride(625-36-5) ¹H NMR

Product Name3-Chloropropionyl chloride

CAS 625-36-5

Molecular FormulaC3H4Cl2O

Molecular Weight126.97

InChIInChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2

InChIKey INUNLMUAPJVRME-UHFFFAOYSA-N

SmilesC(Cl)(=O)CCCl

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Mass

MS-NW-2896          
3-chloropropionyl chloride
C3H4Cl2O            (Mass of molecular ion:    126)

   Source Temperature: 210 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.7
      25.0       3.1
      26.0      15.3
      27.0      88.3
      28.0       9.6
      29.0       1.2
      35.0       2.8
      36.0       8.4
      37.0       1.1
      38.0       2.7
      42.0       3.4
      49.0       4.9
      51.0       1.4
      55.0      24.7
      61.0       2.8
      62.0       7.3
      63.0      46.1
      64.0       3.3
      65.0      14.5
      91.0     100.0
      92.0       3.5
      93.0      31.1
      94.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₄ Cl₂ O	0.05 ml : 0.5 ml CDCl₃
3-chloropropionyl chloride

    Assign.     Shift(ppm)

      A             3.762
      B             3.363

     Hz     ppm     Int.

    344.81   3.851    325
    343.63   3.837    364
    342.06   3.820     23
    341.75   3.816     23
    338.88   3.784    391
    338.13   3.776    467
    337.44   3.768   1000
    332.13   3.709    624
    331.44   3.701    619
    329.00   3.674     60
    309.25   3.453     51
    306.81   3.426    593
    306.13   3.419    623
    303.06   3.384     23
    300.81   3.359    979
    300.13   3.352    476
    299.38   3.343    407
    296.88   3.315     28
    294.63   3.290    350
    293.44   3.277    322

in CDCl3