2,5-Difluoronitrobenzene(364-74-9) MS
Product Name2,5-Difluoronitrobenzene
CAS364-74-9
Molecular FormulaC6H3F2NO2
Molecular Weight159.09
InChIInChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKey XNJAYQHWXYJBBD-UHFFFAOYSA-N
SmilesC1(F)=CC=C(F)C=C1[N+]([O-])=O
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MassMS-NW-7290 1,4-difluoro-2-nitrobenzene C6H3F2NO2 (Mass of molecular ion: 159)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 2.0 30.0 27.8 31.0 5.9 37.0 3.4 38.0 1.5 39.0 1.1 46.0 1.7 49.0 1.2 50.0 6.1 51.0 5.6 56.0 3.6 57.0 8.5 61.0 5.4 62.0 10.6 63.0 80.7 64.0 4.8 68.0 6.6 69.0 4.8 73.0 1.6 74.0 5.5 75.0 7.5 76.0 1.2 80.0 1.4 81.0 7.0 82.0 1.5 86.0 1.7 87.0 3.5 92.0 2.9 93.0 10.9 94.0 3.5 100.0 1.5 101.0 52.0 102.0 3.0 111.0 1.0 112.0 6.8 113.0 100.0 114.0 6.9 129.0 10.4 131.0 3.5 143.0 5.0 159.0 92.7 160.0 6.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 F2 N O2 0.05 ml : 0.5 ml CDCl3 1,4-difluoro-2-nitrobenzene 
Assign. Shift(ppm)
A 7.801 B 7.430 C 7.362
Hz ppm Int.3125.73 7.822 554 3122.56 7.814 604 3120.00 7.807 638 3118.04 7.802 685 3117.07 7.800 757 3114.99 7.795 674 3112.30 7.788 607 3109.25 7.780 579 2982.30 7.463 373 2978.76 7.454 542 2975.34 7.445 567 2973.02 7.440 757 2972.17 7.437 585 2971.68 7.436 631 2969.85 7.432 919 2969.48 7.431 936 2968.63 7.429 612 2966.06 7.422 1000 2962.89 7.414 850 2962.52 7.413 907 2959.35 7.405 667 2952.51 7.388 832 2948.49 7.378 786 2948.12 7.377 841 2942.87 7.364 953 2942.50 7.363 953 2938.48 7.353 955 2938.11 7.352 946 2933.35 7.340 494 2929.32 7.330 434 2928.96 7.329 465
in CDCl3
liquid film
