3,5-Dichlorobenzonitrile(6575-00-4) 13C NMR
Product Name3,5-Dichlorobenzonitrile
CAS6575-00-4
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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MassMS-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
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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
KBr disc
nujol mull
4880 A,200 M,powder
