4-Methoxy-3-nitrobenzoic acid(89-41-8) Raman
Product Name4-Methoxy-3-nitrobenzoic acid
CAS89-41-8
Molecular FormulaC8H7NO5
Molecular Weight197.14
InChIInChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey ANXBDAFDZSXOPQ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(OC)C([N+]([O-])=O)=C1
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MassMS-NW-7295 4-methoxy-3-nitrobenzoic acid C8H7NO5 (Mass of molecular ion: 197)
Source Temperature: 160 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 1.8 18.0 1.6 26.0 1.0 27.0 1.6 28.0 2.3 29.0 2.4 30.0 8.0 31.0 3.8 37.0 3.8 38.0 5.8 39.0 9.8 40.0 1.2 41.0 1.7 43.0 1.1 45.0 5.6 46.0 1.1 49.0 1.2 50.0 14.9 51.0 14.7 52.0 7.8 53.0 9.0 54.0 1.2 55.0 3.3 61.0 5.2 62.0 14.3 63.0 27.8 64.0 5.3 65.0 59.7 66.0 7.2 67.0 3.0 68.0 3.5 69.0 3.0 71.0 2.7 73.0 2.2 74.0 11.1 75.0 15.8 76.0 23.6 77.0 12.6 78.0 10.2 79.0 10.7 80.0 3.6 81.0 11.7 82.0 1.0 91.0 9.1 92.0 2.7 93.0 9.4 94.0 4.9 95.0 5.3 96.0 5.5 99.0 1.1 103.0 6.6 104.0 12.4 105.0 7.6 106.0 7.1 107.0 3.5 108.0 4.2 109.0 10.6 110.0 1.0 111.0 8.8 119.0 59.9 120.0 6.1 121.0 16.6 122.0 6.0 123.0 2.8 124.0 2.4 133.0 2.4 136.0 31.9 137.0 20.1 138.0 2.4 139.0 10.8 140.0 1.6 149.0 1.3 150.0 100.0 151.0 8.2 152.0 2.2 166.0 1.0 167.0 69.0 168.0 11.1 169.0 1.3 180.0 6.3 181.0 1.3 197.0 96.8 198.0 9.7 199.0 1.5 201.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H7 N O5 0.036 g : 0.5 ml DMSO-d6 4-methoxy-3-nitrobenzoic acid 
Assign. Shift(ppm)
A 13.3 B 8.359 C 8.193 D 7.474 E 4.027
Hz ppm Int.3341.69 8.362 248 3340.04 8.358 247 3279.96 8.208 127 3278.31 8.203 122 3271.17 8.186 136 3269.52 8.181 127 2991.48 7.486 180 2982.68 7.464 170 1609.67 4.028 1000
in DMSO-d6
KBr disc
nujol mull
