Product Name4-Fluoro-1,1'-biphenyl
CAS324-74-3
Molecular FormulaC12H9F
Molecular Weight172.2
InChIInChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey RUYZJEIKQYLEGZ-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(F)C=C1
Mass
MS2004-02627WA 4-fluorobiphenyl C12H9F (Mass of molecular ion: 172)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV
50.0 1.1 51.0 1.4 63.0 1.4 73.0 2.7 74.0 1.4 75.0 1.9 76.0 2.2 85.0 5.4 85.5 1.0 86.0 3.8 120.0 1.9 125.0 1.3 133.0 3.3 144.0 1.7 145.0 1.1 146.0 3.8 150.0 1.3 151.0 2.8 152.0 2.7 153.0 1.1 157.0 1.3 168.0 1.1 169.0 3.4 170.0 20.6 171.0 29.6 172.0 100.0 173.0 13.0
400 MHz in CDCl3
in CDCl3
1H NMR | 399.65 MHz |
C12 H9 F | 0.052 g : 0.5 ml CDCl3 |
4-fluorobiphenyl |
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Assign. Shift(ppm) |
Hz ppm Int.
3014.28 7.543 111 3011.23 7.535 648 3009.64 7.531 551 3009.03 7.530 424 3008.18 7.528 681 3005.98 7.522 756 3004.52 7.518 333 3003.66 7.516 335 3002.32 7.513 949 3001.22 7.510 754 3000.49 7.508 604 2999.88 7.507 716 2999.27 7.505 463 2996.95 7.499 682 2993.90 7.492 102 2970.46 7.433 135 2969.60 7.431 315 2968.75 7.429 474 2966.92 7.424 210 2963.50 7.416 174 2963.01 7.415 197 2962.16 7.412 494 2961.55 7.411 884 2960.08 7.407 408 2955.32 7.395 267 2953.86 7.392 436 2953.25 7.390 383 2951.66 7.386 100 2934.81 7.344 205 2933.47 7.341 375 2932.13 7.337 207 2928.22 7.327 161 2926.03 7.322 347 2923.95 7.317 124 2920.17 7.307 99 2918.82 7.304 170 2846.31 7.123 659 2843.99 7.117 237 2840.70 7.108 113 2839.60 7.106 243 2837.52 7.101 1000 2835.33 7.095 245 2834.23 7.092 103 2830.93 7.084 226 2828.61 7.078 567
in CDCl3
KBr disk
Nujol
4-Fluoro-1,1'-biphenyl(324-74-3) 13C NMR Atlas of Related Products
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