3,5-Dichlorobenzonitrile(6575-00-4) Raman

Product Name3,5-Dichlorobenzonitrile

CAS 6575-00-4

Molecular FormulaC7H3Cl2N

Molecular Weight172.01

InChIInChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

InChIKey PUJSUOGJGIECFQ-UHFFFAOYSA-N

SmilesC(#N)C1=CC(Cl)=CC(Cl)=C1

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Mass

MS-NW-6528          
3,5-dichlorobenzonitrile
C7H3Cl2N            (Mass of molecular ion:    171)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      36.0       1.0
      37.0       2.9
      38.0       1.6
      49.0       2.4
      50.0      10.4
      50.5       1.1
      51.0       1.4
      60.0       1.4
      61.0       1.8
      62.0       1.5
      67.5       1.4
      72.0       1.7
      73.0       3.4
      74.0       5.3
      75.0       6.8
      76.0       2.5
      84.0       2.6
      85.0       2.4
      85.5       3.5
      86.0       1.8
      86.5       2.1
      87.0       1.1
      99.0       4.0
     100.0      15.9
     101.0       2.1
     109.0       2.8
     110.0       2.4
     111.0       1.4
     135.0       2.5
     136.0      18.4
     137.0       2.2
     138.0       6.1
     171.0     100.0
     172.0       8.4
     173.0      64.3
     174.0       5.2
     175.0      10.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₃ Cl₂ N	0.040 g : 0.5 ml CDCl₃
3,5-dichlorobenzonitrile

    Assign.     Shift(ppm)

      A             7.602
      B             7.548
     
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    683.25   7.629    117
    681.75   7.613    175
    681.06   7.605    247
    679.56   7.588    435
    676.75   7.557   1000
    675.06   7.538    416
    674.56   7.532    304

in CDCl3