5-Nitroanthranilonitrile(17420-30-3) 1H NMR
Product Name5-Nitroanthranilonitrile
CAS17420-30-3
Molecular FormulaC7H5N3O2
Molecular Weight163.13
InChIInChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2
InChIKey MGCGMYPNXAFGFA-UHFFFAOYSA-N
SmilesC(#N)C1=CC([N+]([O-])=O)=CC=C1N
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MassMS-IW-0859 5-nitroanthranilonitrile C7H5N3O2 (Mass of molecular ion: 163)
Source Temperature: 170 °C Sample Temperature: 170 °C Direct, 75 eV
28.0 4.1 30.0 2.0 37.0 1.1 38.0 2.4 39.0 6.5 40.0 1.1 41.0 2.2 50.0 1.3 51.0 2.6 52.0 4.2 53.0 1.2 61.0 1.3 62.0 3.6 63.0 20.9 64.0 5.6 65.0 2.1 66.0 1.9 76.0 1.0 77.0 1.4 78.0 3.6 88.0 1.9 89.0 3.2 90.0 60.1 91.0 5.0 105.0 6.9 106.0 1.1 116.0 2.5 117.0 38.1 118.0 3.4 133.0 17.7 134.0 1.5 147.0 2.8 163.0 100.0 164.0 9.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 N3 O2 0.036 g : 0.5 ml DMSO-d6 5-nitroanthranilonitrile 
Assign. Shift(ppm)
A 8.385 B 8.130 C 7.50 D 6.872
Hz ppm Int.3352.42 8.389 962 3349.73 8.382 1000 3343.38 8.366 23 3341.55 8.362 23 3255.62 8.147 507 3252.93 8.140 474 3246.22 8.123 531 3243.53 8.116 509 2999.39 7.506 415 2751.34 6.885 905 2746.58 6.873 41 2741.94 6.861 893 2737.30 6.850 29
in DMSO-d6
KBr disc
nujol mull
