2,4-Dichlorophenylacetonitrile(6306-60-1) ¹³C NMR

Product Name2,4-Dichlorophenylacetonitrile

CAS 6306-60-1

Molecular FormulaC8H5Cl2N

Molecular Weight186.04

InChIInChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2

InChIKey VJARIBGMDPJLCL-UHFFFAOYSA-N

SmilesC1(CC#N)=CC=C(Cl)C=C1Cl

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2,4-Dichlorophenylacetonitrile(6306-60-1) <sup>13</sup>C NMR
Mass

MS-NW-6506          
(2,4-dichlorophenyl)acetonitrile
C8H5Cl2N            (Mass of molecular ion:    185)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      36.0       1.2
      37.0       1.9
      38.0       1.8
      39.0       2.6
      43.0       1.8
      49.0       1.3
      50.0       3.7
      51.0       1.5
      56.5       2.0
      57.0       1.1
      57.5       1.2
      61.0       4.0
      62.0       4.7
      63.0       4.8
      64.0       1.6
      73.0       4.7
      74.0       4.0
      74.5       3.0
      75.0       4.6
      75.5       1.0
      76.0       1.1
      84.0       1.4
      85.0       1.7
      86.0       2.2
      87.0       4.2
      88.0       3.8
      89.0       2.0
      92.5       1.6
      93.5       1.2
      97.0       1.9
      98.0       1.0
      99.0       1.4
     109.0       1.6
     114.0      14.4
     115.0       3.0
     123.0      11.5
     124.0       2.8
     125.0       3.9
     148.0       1.2
     149.0       6.6
     150.0     100.0
     151.0      11.2
     152.0      33.4
     153.0       3.0
     157.0       1.4
     158.0       1.6
     159.0       2.5
     160.0       1.2
     161.0       1.2
     184.0       3.3
     185.0      41.2
     186.0       5.9
     187.0      26.3
     188.0       2.8
     189.0       4.4

90 MHz in CDCl3

2,4-Dichlorophenylacetonitrile(6306-60-1) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₈ H₅ Cl₂ N	0.047 g : 0.5 ml CDCl₃
(2,4-dichlorophenyl)acetonitrile

    Assign.     Shift(ppm)

      A             7.44
      B             7.44
      C             7.32
      D             3.797

     Hz     ppm     Int.

    672.81   7.513    110
    672.25   7.507    113
    671.63   7.500     43
    667.00   7.448    243
    665.19   7.428    563
    664.38   7.419    425
    663.81   7.412    290
    658.00   7.348    361
    656.19   7.327    266
    655.25   7.317     59
    649.56   7.253     86
    647.75   7.233     88
    340.13   3.798   1000

in CDCl3