3-Chlorobenzyl cyanide(1529-41-5) Raman
Product Name3-Chlorobenzyl cyanide
CAS1529-41-5
Molecular FormulaC8H6ClN
Molecular Weight151.59
InChIInChI=1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
InChIKey GTIKLPYCSAMPNG-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=CC(Cl)=C1
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MassMS-NW-6076 (m-chlorophenyl)acetonitrile C8H6ClN (Mass of molecular ion: 151)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
11.0 8.4 14.5 29.0 15.0 1.0 19.0 3.3 22.0 1.7 26.5 2.0 27.0 1.5 29.0 1.0 32.5 1.1 33.0 1.3 37.0 1.6 38.0 2.1 39.0 3.5 42.0 1.4 43.0 1.0 44.5 1.8 49.5 1.3 50.0 5.3 51.0 2.6 57.0 1.2 57.5 2.6 61.0 2.0 61.5 1.2 62.0 3.1 62.5 1.8 63.0 5.1 64.0 1.4 65.0 1.0 73.0 1.9 74.0 1.9 74.5 1.7 75.0 5.1 75.5 1.2 76.0 1.6 85.0 1.0 86.0 1.5 87.0 2.2 88.0 3.0 89.0 15.3 90.0 3.1 99.0 1.4 111.0 1.8 114.0 2.4 115.0 2.8 116.0 100.0 117.0 9.9 123.0 2.6 124.0 1.2 125.0 2.9 150.0 3.5 151.0 31.8 152.0 4.5 153.0 10.8 154.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H6 Cl N 0.05 ml : 0.5 ml CDCl3 (m-chlorophenyl)acetonitrile 
Assign. Shift(ppm)
A 7.30 B 7.28 C 7.20 D 3.713
Hz ppm Int.2925.17 7.320 55 2924.32 7.318 48 2920.53 7.308 207 2919.80 7.306 278 2918.95 7.304 354 2918.09 7.302 398 2917.11 7.300 649 2916.26 7.298 387 2915.53 7.296 303 2915.16 7.295 314 2913.45 7.291 226 2911.74 7.286 727 2910.52 7.283 493 2906.98 7.274 63 2905.03 7.269 62 2886.60 7.223 34 2883.91 7.217 97 2883.30 7.215 167 2882.57 7.213 118 2881.23 7.210 137 2879.64 7.206 151 2878.30 7.203 174 2877.08 7.200 82 2876.71 7.199 85 2875.73 7.196 109 2874.63 7.193 121 2873.90 7.192 74 2873.41 7.190 71 2872.68 7.188 94 2871.95 7.187 53 1484.38 3.715 851 1483.76 3.713 1000
in CDCl3
liquid film
