3,5-Difluorobenzonitrile(64248-63-1) 1H NMR
Product Name3,5-Difluorobenzonitrile
CAS64248-63-1
Molecular FormulaC7H3F2N
Molecular Weight139.1
InChIInChI=1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey CQXZSEXZQVKCHW-UHFFFAOYSA-N
SmilesC(#N)C1=CC(F)=CC(F)=C1
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MassMS-IW-3623 3,5-difluorobenzonitrile C7H3F2N (Mass of molecular ion: 139)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
31.0 3.1 37.0 1.6 38.0 1.4 50.0 2.4 51.0 1.5 56.0 1.1 57.0 3.2 61.0 1.9 62.0 2.8 63.0 2.7 64.0 1.9 68.0 3.0 69.0 1.3 69.5 2.8 74.0 1.2 75.0 4.7 81.0 1.7 82.0 1.1 87.0 1.5 88.0 9.5 89.0 3.9 93.0 1.7 94.0 3.0 95.0 1.1 99.0 1.2 100.0 1.1 112.0 14.3 113.0 3.6 119.0 2.2 120.0 1.1 139.0 100.0 140.0 8.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H3 F2 N 0.046 g : 0.5 ml CDCl3 3,5-difluorobenzonitrile 
Assign. Shift(ppm)
A 7.231 B 7.117
Hz ppm Int.2902.71 7.264 54 2900.51 7.258 119 2898.07 7.252 93 2894.41 7.243 814 2893.19 7.240 650 2892.09 7.237 1000 2890.87 7.234 708 2889.40 7.230 609 2887.94 7.227 915 2887.08 7.225 718 2885.50 7.221 888 2881.84 7.211 101 2879.64 7.206 134 2877.32 7.200 64 2855.22 7.145 238 2852.91 7.139 382 2850.59 7.133 187 2846.56 7.123 472 2844.24 7.117 776 2841.92 7.112 366 2837.89 7.101 246 2835.57 7.096 398 2833.25 7.090 191
KBr disc
nujol mull
