2,6-Dichlorobenzyl acetonitrile(3215-64-3) MS

Product Name2,6-Dichlorobenzyl acetonitrile

CAS 3215-64-3

Molecular FormulaC8H5Cl2N

Molecular Weight186.04

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

InChIKey AOEJUUCUKRUCEF-UHFFFAOYSA-N

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

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Mass

MS2015-05136CW      
(2,6-dichlorophenyl)acetonitrile
C8H5Cl2N            (Mass of molecular ion:    185)

   Source Temperature: 240 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      37.0       1.0
      38.0       1.1
      39.0       1.7
      43.0       1.2
      50.0       2.0
      51.0       1.1
      56.5       1.9
      57.5       1.1
      61.0       3.3
      62.0       3.9
      63.0       4.2
      64.0       1.3
      73.0       3.7
      74.0       3.2
      75.0       3.8
      76.0       1.0
      84.0       1.3
      85.0       1.4
      86.0       1.9
      87.0       4.5
      88.0       4.2
      89.0       2.2
      92.5       2.0
      93.5       1.3
      97.0       1.6
      99.0       1.4
     109.0       1.3
     111.0       1.0
     114.0      29.7
     115.0       4.4
     123.0      12.4
     124.0       2.9
     125.0       4.2
     148.0       1.4
     149.0      14.8
     150.0     100.0
     151.0      13.2
     152.0      31.5
     153.0       2.8
     157.0       1.3
     158.0       2.1
     159.0       3.2
     160.0       1.5
     161.0       1.7
     184.0       2.1
     185.0      64.3
     186.0       7.0
     187.0      41.2
     188.0       3.9
     189.0       6.6

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₈ H₅ Cl₂ N	0.043 g : 0.5 ml CDCl₃
(2,6-dichlorophenyl)acetonitrile

    Assign.     Shift(ppm)

      A             7.37
      B             7.25
      C             4.004

     Hz     ppm     Int.

    667.19   7.450     88
    662.44   7.397    150
    657.13   7.338    570
    654.00   7.303    390
    650.38   7.262     51
    649.25   7.250    131
    643.88   7.190     50
    639.13   7.137     35
    358.63   4.005   1000