Product Name3,4-Difluorobenzonitrile
CAS64248-62-0
Molecular FormulaC7H3F2N
Molecular Weight139.1
InChIInChI=1S/C7H3F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKey BTBFCBQZFMQBNT-UHFFFAOYSA-N
SmilesC(#N)C1=CC=C(F)C(F)=C1
Mass
MS-IW-7591 3,4-difluorobenzonitrile C7H3F2N (Mass of molecular ion: 139)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 3.0 37.0 1.4 38.0 1.4 50.0 1.8 51.0 1.0 56.0 1.2 57.0 2.5 61.0 1.7 62.0 3.3 63.0 2.6 64.0 1.6 68.0 2.3 69.5 2.0 74.0 1.0 75.0 4.1 81.0 1.5 87.0 1.6 88.0 8.9 89.0 2.8 93.0 1.6 94.0 2.7 99.0 1.2 100.0 1.0 112.0 17.7 113.0 3.8 119.0 2.1 139.0 100.0 140.0 8.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H3 F2 N | 0.042 g : 0.5 ml CDCl3 |
3,4-difluorobenzonitrile |
Assign. Shift(ppm) |
Hz ppm Int.
3018.07 7.552 544 3015.99 7.547 643 3010.86 7.534 561 3008.54 7.528 958 3006.47 7.523 696 3001.34 7.510 769 2999.39 7.506 1000 2997.80 7.502 450 2997.07 7.500 574 2995.73 7.496 456 2993.65 7.491 375 2992.80 7.489 536 2991.21 7.485 605 2989.26 7.480 541 2988.65 7.479 569 2987.06 7.475 587 2985.11 7.470 398 2939.45 7.356 656 2936.52 7.348 31 2931.76 7.336 704 2931.40 7.335 675 2930.91 7.334 678 2929.81 7.331 718 2926.88 7.324 53 2926.03 7.322 64 2923.22 7.315 555 2922.12 7.312 671 2921.63 7.311 706 2918.21 7.302 39 2917.97 7.302 39 2913.70 7.291 452
in CDCl3
KBr disc
nujol mull
3,4-Difluorobenzonitrile(64248-62-0) 1H NMR Atlas of Related Products
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