2,6-Dinitroaniline(606-22-4) IR1
Product Name2,6-Dinitroaniline
CAS606-22-4
Molecular FormulaC6H5N3O4
Molecular Weight183.12
InChIInChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2
InChIKey QFUSCYRJMXLNRB-UHFFFAOYSA-N
SmilesC1(N)=C([N+]([O-])=O)C=CC=C1[N+]([O-])=O
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MassMS-NW-6469 2,6-dinitroaniline C6H5N3O4 (Mass of molecular ion: 183)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 3.4 26.0 1.1 27.0 2.5 28.0 5.1 30.0 8.5 37.0 3.6 38.0 6.4 39.0 13.8 40.0 2.5 41.0 5.3 43.0 1.0 44.0 7.5 50.0 3.3 51.0 8.5 52.0 23.2 53.0 6.1 54.0 1.0 61.0 2.4 62.0 6.6 63.0 18.1 64.0 18.4 65.0 15.4 66.0 5.7 67.0 2.6 74.0 1.2 75.0 3.7 76.0 4.4 77.0 4.8 78.0 7.1 79.0 8.1 89.0 1.8 90.0 6.2 91.0 33.8 92.0 7.4 93.0 1.7 96.0 1.3 103.0 1.2 105.0 3.2 106.0 1.8 107.0 10.0 108.0 1.1 119.0 2.0 121.0 20.0 122.0 2.0 125.0 1.4 137.0 2.2 149.0 1.8 153.0 14.4 154.0 1.2 165.0 1.0 166.0 5.7 167.0 2.2 183.0 100.0 184.0 8.1 185.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H5 N3 O4 0.039 g : 0.5 ml DMSO-d6 2,6-dinitroaniline 
Assign. Shift(ppm)
A 8.489 B 8.42 C 6.839
Hz ppm Int.3405.15 8.521 27 3396.97 8.500 980 3388.55 8.479 1000 3363.40 8.416 299 2741.33 6.860 324 2733.03 6.839 606 2728.03 6.827 25 2724.73 6.818 307
in DMSO-d6
KBr disc
nujol mull
