1,5-Difluoro-2,4-dinitrobenzene(327-92-4) IR1
Product Name1,5-Difluoro-2,4-dinitrobenzene
CAS327-92-4
Molecular FormulaC6H2F2N2O4
Molecular Weight204.09
InChIInChI=1S/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
InChIKey VILFTWLXLYIEMV-UHFFFAOYSA-N
SmilesC1(F)=CC(F)=C([N+]([O-])=O)C=C1[N+]([O-])=O
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MassMS-NW-7960 1,5-difluoro-2,4-dinitrobenzene C6H2F2N2O4 (Mass of molecular ion: 204)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 4.4 28.0 5.0 30.0 100.0 31.0 9.9 37.0 1.7 38.0 1.0 46.0 9.4 50.0 8.4 51.0 1.2 53.0 1.1 56.0 3.2 57.0 1.0 61.0 9.6 62.0 32.1 63.0 2.3 64.0 8.6 68.0 9.2 69.0 1.4 73.0 1.2 74.0 3.6 75.0 4.4 76.0 2.3 80.0 3.0 81.0 11.1 82.0 1.2 86.0 1.3 87.0 1.3 88.0 1.7 92.0 4.5 93.0 3.0 94.0 1.7 99.0 7.5 100.0 17.9 101.0 1.3 111.0 10.8 112.0 65.9 113.0 5.9 114.0 1.7 125.0 4.6 126.0 1.4 128.0 1.9 142.0 1.3 174.0 5.9 188.0 3.6 204.0 79.5 205.0 6.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H2 F2 N2 O4 0.072 g : 0.5 ml CDCl3 1,5-difluoro-2,4-dinitrobenzene 
Assign. Shift(ppm)
A 8.978 B 7.380 J(A,F-19)=7.7HZ J(B,F-19)=9.8HZ
Hz ppm Int.811.69 9.064 397 809.44 9.038 81 809.00 9.034 79 808.63 9.029 76 808.38 9.027 76 808.06 9.023 76 807.75 9.020 80 804.19 8.980 765 800.19 8.935 70 799.88 8.932 73 799.19 8.924 85 796.63 8.895 398 670.94 7.492 498 670.56 7.488 483 663.56 7.410 88 661.25 7.384 1000 660.75 7.378 960 658.19 7.350 73 655.81 7.323 55 655.06 7.315 62 654.06 7.304 82 651.50 7.275 578 649.19 7.249 60 648.31 7.239 55
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
