2-Fluorobenzyl cyanide(326-62-5) IR1
Product Name2-Fluorobenzyl cyanide
CAS326-62-5
Molecular FormulaC8H6FN
Molecular Weight135.14
InChIInChI=1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
InChIKey DAVJMKMVLKOQQC-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=CC=C1F
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MassMS-NW-9441 o-fluorophenylacetonitrile C8H6FN (Mass of molecular ion: 135)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
31.0 1.4 38.0 1.3 39.0 2.7 50.0 3.2 51.0 2.4 57.0 6.1 61.0 1.4 62.0 2.6 63.0 3.5 64.0 1.1 67.5 2.7 68.0 1.5 69.0 1.4 74.0 1.6 75.0 3.8 76.0 1.1 81.0 3.7 82.0 1.9 83.0 4.4 87.0 1.3 88.0 2.7 89.0 2.1 95.0 1.8 106.0 1.4 107.0 26.6 108.0 46.0 109.0 10.9 114.0 2.2 115.0 17.6 116.0 2.7 132.0 1.1 134.0 45.4 135.0 100.0 136.0 9.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H6 F N 0.05 ml : 0.5 ml CDCl3 o-fluorophenylacetonitrile 
Assign. Shift(ppm)
A 7.413 B 7.318 C 7.163 D 7.077 E 3.734
Hz ppm Int.2971.68 7.436 103 2971.31 7.435 101 2969.97 7.432 113 2963.99 7.417 209 2963.62 7.416 204 2963.01 7.415 209 2962.28 7.413 231 2956.42 7.398 117 2956.05 7.397 114 2954.71 7.394 128 2936.89 7.349 60 2935.06 7.345 58 2931.52 7.336 65 2929.32 7.330 141 2927.98 7.327 110 2927.49 7.326 114 2923.95 7.317 118 2923.34 7.315 115 2922.73 7.314 112 2921.51 7.311 157 2919.31 7.305 88 2915.77 7.296 92 2914.43 7.293 76 2914.06 7.292 80 2870.61 7.183 183 2869.38 7.180 202 2863.04 7.164 291 2861.82 7.161 310 2855.47 7.145 129 2854.25 7.142 139 2837.77 7.101 175 2836.67 7.098 169 2829.59 7.081 158 2828.00 7.077 261 2826.66 7.073 182 2819.58 7.056 145 2818.48 7.053 145 1492.55 3.735 1000
in CDCl3
liquid film
