2-Nitroresorcinol(601-89-8) 1H NMR
Product Name2-Nitroresorcinol
CAS601-89-8
Molecular FormulaC6H5NO4
Molecular Weight155.11
InChIInChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H
InChIKey ZLCPKMIJYMHZMJ-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(O)=C1[N+]([O-])=O
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MassMS-NW-1193 2-nitroresorcinol C6H5NO4 (Mass of molecular ion: 155)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.7 26.0 7.1 27.0 10.4 28.0 4.7 29.0 5.2 30.0 9.5 37.0 5.3 38.0 9.2 39.0 33.5 40.0 3.3 41.0 2.2 42.0 2.0 49.0 1.9 50.0 8.5 51.0 24.0 52.0 22.5 53.0 19.5 54.0 14.5 55.0 11.5 56.0 1.2 61.0 1.7 62.0 3.3 63.0 6.6 64.0 2.6 65.0 4.6 66.0 5.2 67.0 2.3 68.0 3.4 69.0 2.7 70.0 5.8 77.0 1.2 79.0 9.1 80.0 6.3 81.0 36.5 82.0 3.5 91.0 1.6 93.0 11.0 94.0 2.5 95.0 36.3 96.0 4.6 97.0 1.4 107.0 1.2 108.0 1.1 109.0 100.0 110.0 6.4 122.0 1.7 137.0 11.2 138.0 1.0 155.0 38.8 156.0 2.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H5 N O4 0.053 g : 0.5 ml CDCl3 2-nitroresorcinol 
Assign. Shift(ppm)
A 10.65 B 7.431 C 6.614
Hz ppm Int.955.88 10.674 34 953.69 10.649 1000 949.88 10.607 27 674.69 7.534 109 666.75 7.445 150 666.25 7.440 160 665.88 7.436 160 657.94 7.347 163 596.06 6.656 639 592.69 6.618 29 587.81 6.564 453 587.38 6.559 429
in CDCl3
CCl4 solution
KBr disc
nujol mull
