4-Nitro-o-phenylenediamine(99-56-9) IR1
Product Name4-Nitro-o-phenylenediamine
CAS99-56-9
Molecular FormulaC6H7N3O2
Molecular Weight153.14
InChIInChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2
InChIKey RAUWPNXIALNKQM-UHFFFAOYSA-N
SmilesC1(N)=CC=C([N+]([O-])=O)C=C1N
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MassMS-NW-1614 4-nitro-o-phenylenediamine C6H7N3O2 (Mass of molecular ion: 153)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 2.2 27.0 2.7 28.0 9.3 29.0 1.4 30.0 1.7 37.0 1.0 38.0 2.5 39.0 5.4 40.0 1.6 41.0 3.6 42.0 2.3 43.0 1.4 50.0 3.3 51.0 7.3 52.0 13.5 53.0 20.6 54.0 5.4 62.0 1.5 63.0 9.9 64.0 1.8 65.0 2.8 66.0 1.6 67.0 2.9 68.0 1.6 76.0 1.9 77.0 1.2 78.0 7.0 79.0 7.2 80.0 40.5 81.0 2.8 90.0 19.2 91.0 2.1 94.0 1.7 95.0 7.9 96.0 1.2 105.0 3.9 106.0 3.9 107.0 41.3 108.0 3.4 123.0 10.5 153.0 100.0 154.0 8.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H7 N3 O2 0.038 g : 0.5 ml DMSO-d6 4-nitro-o-phenylenediamine 
Assign. Shift(ppm)
A 7.450 B 7.428 C 6.560 D 6.06 E 5.08
Hz ppm Int.2983.89 7.467 329 2981.20 7.460 469 2975.34 7.445 263 2972.66 7.439 641 2969.85 7.432 1000 2967.29 7.425 572 2960.45 7.408 22 2631.23 6.584 22 2625.98 6.571 734 2617.43 6.550 712 2612.06 6.536 28 2422.61 6.062 406 2031.49 5.084 395
in DMSO-d6
KBr disc
nujol mull
