2-Chloropropionitrile(1617-17-0) ¹³C NMR

Product Name2-Chloropropionitrile

CAS 1617-17-0

Molecular FormulaC3H4ClN

Molecular Weight89.52

InChIInChI=1S/C3H4ClN/c1-3(4)2-5/h3H,1H3

InChIKey JNAYPRPPXRWGQO-UHFFFAOYSA-N

SmilesC(#N)C(Cl)C

Request For Quotation

Mass

MS-NW-8550          
2-chloropropionitrile
C3H4ClN             (Mass of molecular ion:     89)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       3.8
      25.0       3.3
      26.0      25.0
      27.0      26.7
      28.0     100.0
      29.0       2.4
      35.0       2.2
      36.0       2.7
      37.0       2.3
      38.0       3.5
      39.0       2.2
      42.0       1.9
      44.0       5.0
      47.0       3.3
      48.0       1.3
      49.0       1.9
      50.0       2.4
      51.0      12.9
      52.0      26.5
      53.0      13.5
      54.0      95.8
      55.0       3.9
      61.0       3.7
      62.0      10.7
      63.0       3.1
      64.0       3.4
      73.0       1.2
      74.0      14.7
      76.0       4.8
      88.0      12.0
      89.0      17.0
      90.0       5.1
      91.0       5.9

parameter in CDCl3

¹H NMR	300 MHz
C₃ H₄ Cl N	0.05 ml : 0.5 ml CDCl₃
2-chloropropionitrile

    Parameter     ppm  Hz

      D(A)         4.573
      D(B)         1.858
       J(A,B)          7.1

     Hz     ppm     Int.

   1382.60   4.609     82
   1375.50   4.585    245
   1368.41   4.561    248
   1361.33   4.538     86
    560.94   1.870   1000
    553.85   1.846    983

in CDCl3