3-Hydroxy-4-nitrobenzoic acid(619-14-7) 1H NMR
Product Name3-Hydroxy-4-nitrobenzoic acid
CAS619-14-7
Molecular FormulaC7H5NO5
Molecular Weight183.12
InChIInChI=1S/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)
InChIKey XLDLRRGZWIEEHT-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C([N+]([O-])=O)C(O)=C1
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MassMS-NW-6935 3-hydroxy-4-nitrobenzoic acid C7H5NO5 (Mass of molecular ion: 183)
Source Temperature: 200 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 3.5 26.0 1.0 27.0 4.0 28.0 2.4 29.0 1.7 30.0 6.2 37.0 3.0 38.0 6.4 39.0 12.0 41.0 1.7 45.0 4.6 50.0 3.8 51.0 6.8 52.0 4.0 53.0 12.8 54.0 1.1 55.0 3.8 61.0 3.3 62.0 8.7 63.0 19.9 64.0 5.5 65.0 1.7 66.0 1.6 69.0 4.5 74.0 1.3 75.0 1.3 76.0 1.1 77.0 1.5 78.0 1.2 79.0 2.6 80.0 3.4 81.0 12.7 82.0 1.0 91.0 5.6 92.0 2.5 93.0 2.1 96.0 1.1 97.0 9.3 107.0 2.1 108.0 4.9 109.0 5.2 119.0 12.5 120.0 3.0 121.0 3.0 122.0 1.4 125.0 8.3 136.0 3.9 137.0 2.9 138.0 5.8 150.0 1.0 153.0 13.5 154.0 1.1 166.0 4.5 183.0 100.0 184.0 8.3 185.0 1.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 N O5 0.040 g : 0.5 ml DMSO-d6 3-hydroxy-4-nitrobenzoic acid 
Assign. Shift(ppm)
A 11.4 B 7.955 C 7.707 D 7.505
Hz ppm Int.4569.09 11.433 58 3183.84 7.967 902 3175.29 7.946 984 3081.30 7.710 996 3079.59 7.706 1000 3004.64 7.519 609 3002.93 7.514 584 2996.09 7.497 547 2994.38 7.493 530
in DMSO-d6
KBr disc
nujol mull
