5-Methoxysalicylic acid(2612-02-4) IR2
Product Name5-Methoxysalicylic acid
CAS2612-02-4
Molecular FormulaC8H8O4
Molecular Weight168.15
InChIInChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey IZZIWIAOVZOBLF-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(OC)=CC=C1O
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MassMS-IW-9094 5-methoxysalicylic acid C8H8O4 (Mass of molecular ion: 168)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 2.2 18.0 10.7 26.0 1.5 27.0 1.8 28.0 6.9 29.0 1.0 32.0 1.9 38.0 1.1 39.0 2.7 41.0 1.1 45.0 1.4 46.0 1.2 50.0 2.0 51.0 7.3 52.0 4.4 53.0 12.3 54.0 2.3 55.0 2.7 61.0 1.0 62.0 2.2 63.0 4.1 64.0 1.2 65.0 2.0 66.0 1.0 69.0 1.0 75.0 2.6 79.0 23.4 80.0 2.4 81.0 1.2 91.0 1.4 92.0 2.1 93.0 2.5 94.0 7.6 95.0 1.8 107.0 36.6 108.0 4.5 109.0 1.4 122.0 15.9 123.0 2.1 124.0 1.1 135.0 16.2 136.0 1.5 150.0 100.0 151.0 10.0 152.0 1.1 168.0 34.4 169.0 3.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H8 O4 0.037 g : 0.5 ml DMSO-d6 5-methoxysalicylic acid 
Assign. Shift(ppm)
A 7.276 B 7.156 C 6.919 D 3.741
Hz ppm Int.2909.60 7.281 167 2906.49 7.273 186 2866.56 7.173 123 2863.26 7.165 99 2857.58 7.151 143 2854.28 7.142 127 2769.48 6.930 203 2760.69 6.908 170 1495.19 3.742 1000
in DMSO-d6
KBr disc
nujol mull
