2-Amino-3-nitrophenol(603-85-0) IR2
Product Name2-Amino-3-nitrophenol
CAS603-85-0
Molecular FormulaC6H6N2O3
Molecular Weight154.12
InChIInChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
InChIKey KUCWUAFNGCMZDB-UHFFFAOYSA-N
SmilesC1(O)=CC=CC([N+]([O-])=O)=C1N
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MassMS-IW-9533 2-amino-3-nitrophenol C6H6N2O3 (Mass of molecular ion: 154)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.6 18.0 7.5 26.0 2.5 27.0 9.2 28.0 16.1 29.0 2.3 30.0 4.0 37.0 2.9 38.0 5.4 38.5 2.3 39.0 11.2 39.5 4.5 40.0 2.6 41.0 4.0 42.0 1.4 44.0 1.8 49.0 1.4 50.0 6.1 51.0 18.0 52.0 35.0 53.0 35.2 53.5 3.4 54.0 12.0 55.0 3.3 61.0 1.2 62.0 2.8 63.0 9.1 64.0 3.5 65.0 4.3 66.0 1.8 67.0 1.9 68.0 2.1 75.0 1.2 76.0 3.2 77.0 5.0 78.0 26.3 79.0 18.7 80.0 23.7 81.0 3.4 90.0 5.4 91.0 3.0 92.0 1.2 93.0 6.7 94.0 1.3 95.0 1.0 96.0 2.5 106.0 55.6 107.0 52.0 108.0 70.2 109.0 11.2 110.0 1.0 119.0 1.0 123.0 1.3 124.0 1.3 136.0 15.2 137.0 14.4 138.0 3.8 153.0 3.5 154.0 100.0 155.0 8.7 156.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H6 N2 O3 0.037 g : 0.5 ml DMSO-d6 2-amino-3-nitrophenol 
Assign. Shift(ppm)
A 10.5 B 7.501 C 6.951 D 6.512
Hz ppm Int.4194.95 10.497 622 3010.25 7.533 25 3003.23 7.515 821 3001.86 7.512 944 2994.38 7.493 875 2993.01 7.490 963 2782.75 6.963 849 2781.52 6.960 951 2775.27 6.945 952 2773.90 6.941 1000 2610.78 6.533 809 2603.15 6.514 831 2601.93 6.511 948 2594.30 6.492 720
in DMSO-d6
KBr disc
nujol mull
