2,4-Difluoronitrobenzene(446-35-5) Raman
Product Name2,4-Difluoronitrobenzene
CAS446-35-5
Molecular FormulaC6H3F2NO2
Molecular Weight159.09
InChIInChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey RJXOVESYJFXCGI-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C(F)C=C1F
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MassMS-IW-1299 2,4-difluoro-1-nitrobenzene C6H3F2NO2 (Mass of molecular ion: 159)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
28.0 2.2 30.0 23.6 31.0 5.4 37.0 2.3 38.0 1.3 46.0 1.1 49.0 1.0 50.0 5.7 51.0 5.7 56.0 2.1 57.0 6.1 61.0 4.2 62.0 9.6 63.0 68.0 64.0 4.0 68.0 6.7 69.0 4.1 73.0 1.5 74.0 5.1 75.0 7.8 76.0 1.0 80.0 1.1 81.0 5.2 82.0 1.1 87.0 2.6 92.0 2.4 93.0 9.0 94.0 2.8 100.0 1.6 101.0 36.7 102.0 2.1 112.0 6.3 113.0 69.5 114.0 4.9 129.0 43.2 130.0 2.9 143.0 7.9 159.0 100.0 160.0 7.0
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 2,4-difluoro-1-nitrobenzene 
Assign. Shift(ppm)
A 8.191 B 7.11 C 7.08
Hz ppm Int.3287.35 8.226 343 3283.94 8.218 110 3281.62 8.212 397 3278.32 8.203 479 3277.71 8.202 486 3272.71 8.189 474 3271.97 8.188 457 3269.29 8.181 400 3263.55 8.167 383 2847.66 7.126 291 2846.56 7.123 177 2845.09 7.119 466 2843.87 7.116 637 2843.26 7.115 532 2842.77 7.114 676 2840.45 7.108 683 2839.23 7.105 303 2838.62 7.103 382 2837.77 7.101 538 2836.55 7.098 1000 2835.94 7.097 809 2834.59 7.093 688 2832.28 7.087 942 2831.91 7.086 934 2829.22 7.080 802 2828.61 7.078 700 2826.54 7.073 242 2823.61 7.066 589 2821.41 7.060 344 2820.92 7.059 356
in CDCl3
liquid film
