2-(2-Chlorophenyl)acetonitrile(2856-63-5) MS
Product Name2-(2-Chlorophenyl)acetonitrile
CAS2856-63-5
Molecular FormulaC8H6ClN
Molecular Weight151.59
InChIInChI=1S/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
InChIKey MRDUURPIPLIGQX-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=CC=C1Cl
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MassMS-NW-9213 (o-chlorophenyl)acetonitrile C8H6ClN (Mass of molecular ion: 151)
Source Temperature: 270 °C Sample Temperature: 160 °C Reservoir, 75 eV
28.0 1.5 37.0 1.8 38.0 2.7 39.0 5.9 43.0 1.1 49.0 1.2 50.0 5.6 51.0 3.8 57.5 3.5 61.0 2.7 62.0 5.4 63.0 8.8 64.0 2.6 65.0 1.6 73.0 2.6 74.0 2.9 75.0 5.2 75.5 1.0 76.0 1.8 85.0 1.3 86.0 1.4 87.0 2.8 88.0 6.1 89.0 19.3 90.0 3.1 99.0 1.3 114.0 5.7 115.0 15.2 116.0 100.0 117.0 9.1 123.0 2.6 124.0 1.7 125.0 2.3 150.0 2.7 151.0 32.5 152.0 3.9 153.0 10.6 154.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H6 Cl N 0.05 ml : 0.5 ml CDCl3 (o-chlorophenyl)acetonitrile 
Assign. Shift(ppm)
A 7.483 B 7.392 C 7.30 D 7.28 E 3.803
Hz ppm Int.2995.85 7.497 142 2992.80 7.489 114 2991.46 7.486 159 2990.11 7.482 83 2988.77 7.479 94 2986.57 7.473 172 2959.59 7.406 173 2957.15 7.400 96 2954.59 7.393 181 2953.13 7.390 146 2950.32 7.383 250 2946.53 7.373 40 2922.36 7.313 74 2920.17 7.307 44 2917.36 7.300 387 2914.79 7.294 224 2912.60 7.288 345 2909.91 7.282 177 2907.96 7.277 296 2904.54 7.268 31 2901.86 7.262 122 1520.14 3.804 1000
in CDCl3
liquid film
