5-Nitrosalicylic acid(96-97-9) IR2
Product Name5-Nitrosalicylic acid
CAS96-97-9
Molecular FormulaC7H5NO5
Molecular Weight183.12
InChIInChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey PPDRLQLKHRZIJC-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC([N+]([O-])=O)=CC=C1O
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MassMS-NW-2408 2-hydroxy-5-nitrobenzoic acid C7H5NO5 (Mass of molecular ion: 183)
Source Temperature: 220 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.0 18.0 5.0 26.0 1.3 27.0 4.1 28.0 2.5 29.0 1.8 30.0 4.7 31.0 1.2 37.0 2.7 38.0 5.0 39.0 11.6 44.0 1.2 45.0 3.3 50.0 2.9 51.0 6.9 52.0 2.8 53.0 15.2 54.0 1.7 55.0 3.7 61.0 3.6 62.0 9.0 63.0 25.2 64.0 3.9 65.0 1.8 66.0 1.1 67.0 1.3 69.0 1.6 74.0 1.5 75.0 2.0 79.0 18.4 80.0 2.0 81.0 9.2 90.0 2.3 91.0 17.2 92.0 4.0 93.0 1.7 107.0 18.4 108.0 1.8 118.0 2.9 119.0 8.7 120.0 2.8 135.0 11.7 136.0 1.0 137.0 4.2 149.0 7.6 165.0 100.0 166.0 9.5 167.0 1.7 183.0 42.3 184.0 3.7
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 2-hydroxy-5-nitrobenzoic acid 
Assign. Shift(ppm)
A 10.6 B 8.552 C 8.329 D 7.152 J(B,C)=2.9HZ J(C,D)=9.2HZ
Hz ppm Int.3419.35 8.556 940 3416.42 8.549 1000 3334.91 8.345 598 3331.98 8.338 550 3325.75 8.322 609 3322.82 8.315 567 2867.65 7.176 21 2862.89 7.164 947 2858.68 7.153 27 2857.58 7.151 29 2853.73 7.141 902
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
