3,3'-DIFLUOROBIPHENYL(396-64-5) MS
Product Name3,3'-DIFLUOROBIPHENYL
CAS396-64-5
Molecular FormulaC12H8F2
Molecular Weight190.19
InChIInChI=1S/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
InChIKey GAYJHUJLHJWCTH-UHFFFAOYSA-N
SmilesC1(C2=CC=CC(F)=C2)=CC=CC(F)=C1
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MassMS-IW-5093 3,3'-difluorobiphenyl C12H8F2 (Mass of molecular ion: 190)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
50.0 1.1 57.0 1.5 63.0 1.0 69.0 1.3 70.0 1.2 72.0 1.2 74.0 1.8 75.0 2.9 81.0 1.7 82.0 4.7 84.0 1.0 84.5 1.1 85.0 5.6 94.0 8.1 94.5 1.2 95.0 6.7 96.0 1.4 120.0 1.7 133.0 1.4 144.0 1.5 151.0 2.1 157.0 1.4 164.0 3.5 168.0 2.8 169.0 5.4 170.0 7.2 171.0 3.2 187.0 2.3 188.0 20.2 189.0 24.6 190.0 100.0 191.0 12.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H8 F2 0.05 ml : 0.5 ml CDCl3 3,3'-difluorobiphenyl 
Assign. Shift(ppm)
A 7.342 B 7.290 C 7.215 D 7.019 J(A,B)=J(A,D)=7.9HZ J(A,F-19)=5.9HZ J(B,C)=1.6HZ J(B,D)=1.3HZ J(C,F-19)=10.1HZ J(C,D)=2.4HZ J(D,F-19)=8.4HZ
Hz ppm Int.2951.17 7.385 32 2946.53 7.373 312 2942.87 7.364 53 2940.67 7.359 314 2938.60 7.353 708 2932.86 7.339 720 2930.66 7.334 606 2924.93 7.319 600 2917.97 7.302 717 2916.38 7.298 1000 2915.04 7.294 753 2910.16 7.282 395 2908.57 7.278 564 2907.35 7.275 387 2903.93 7.267 69 2901.61 7.261 51 2898.93 7.254 36 2896.24 7.247 36 2890.75 7.234 476 2888.31 7.228 530 2886.60 7.223 433 2883.54 7.216 48 2880.62 7.208 447 2878.17 7.202 510 2876.46 7.198 433 2815.19 7.045 344 2813.96 7.042 344 2812.50 7.038 326 2811.40 7.035 320 2806.76 7.024 472 2805.91 7.021 428 2805.42 7.020 438 2804.32 7.017 466 2803.22 7.015 410 2802.86 7.014 398 2798.71 7.003 313 2797.36 7.000 317 2796.02 6.997 305 2794.80 6.994 295 2792.11 6.987 38
in CDCl3
liquid film
