4-Hydroxy-3-nitrobenzoic acid(616-82-0) MS
Product Name4-Hydroxy-3-nitrobenzoic acid
CAS616-82-0
Molecular FormulaC7H5NO5
Molecular Weight183.12
InChIInChI=1S/C7H5NO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)
InChIKey QRYSWXFQLFLJTC-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(O)C([N+]([O-])=O)=C1
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MassMS-NW-9576 4-hydroxy-3-nitrobenzoic acid C7H5NO5 (Mass of molecular ion: 183)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.2 18.0 6.4 27.0 1.6 28.0 1.3 30.0 2.6 37.0 1.0 38.0 2.1 39.0 4.0 45.0 1.5 50.0 1.6 51.0 3.0 52.0 2.4 53.0 6.9 55.0 1.9 61.0 1.3 62.0 3.8 63.0 8.5 64.0 2.6 69.0 2.4 71.0 1.1 77.5 1.1 79.0 2.0 80.0 1.7 81.0 8.0 91.0 4.8 92.0 3.3 93.0 1.0 97.0 4.5 107.0 1.7 108.0 2.7 109.0 4.9 119.0 8.5 120.0 6.2 121.0 1.5 125.0 5.0 136.0 5.1 137.0 3.2 138.0 1.1 150.0 1.0 153.0 9.5 166.0 18.2 167.0 2.0 183.0 100.0 184.0 8.6 185.0 1.3 201.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 N O5 0.042 g : 0.5 ml DMSO-d6 4-hydroxy-3-nitrobenzoic acid 
Assign. Shift(ppm)
A 12.6 B 8.401 C 8.077 D 7.239
Hz ppm Int.5024.99 12.574 54 3373.64 8.442 42 3357.62 8.402 1000 3245.65 8.122 41 3232.40 8.089 528 3224.28 8.068 552 2897.34 7.250 633 2888.79 7.229 612
in DMSO-d6
KBr disc
nujol mull
