Homovanillic acid(306-08-1) 13C NMR
Product NameHomovanillic acid
CAS306-08-1
Molecular FormulaC9H10O4
Molecular Weight182.17
InChIInChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey QRMZSPFSDQBLIX-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=CC=C(O)C(OC)=C1
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MassMS-NW-2063 4-hydroxy-3-methoxyphenylacetic acid C9H10O4 (Mass of molecular ion: 182)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.1 18.0 1.6 27.0 1.6 28.0 1.4 38.0 1.1 39.0 6.1 40.0 1.6 41.0 1.7 43.0 1.3 45.0 1.7 50.0 1.7 51.0 5.2 52.0 1.5 53.0 1.7 55.0 3.4 63.0 1.2 65.0 4.4 66.0 3.7 67.0 2.0 77.0 4.3 78.0 1.6 79.0 1.3 94.0 8.0 95.0 2.4 105.0 1.5 106.0 1.1 107.0 2.8 122.0 10.7 123.0 1.8 125.0 1.9 137.0 100.0 138.0 9.2 182.0 47.2 183.0 4.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O4 0.047 g : 0.5 ml CDCl3 4-hydroxy-3-methoxyphenylacetic acid 
Assign. Shift(ppm)
A 6.86 B 6.80 C 6.79 D 5.6 E 3.883 F 3.57
Hz ppm Int.621.13 6.936 37 614.04 6.857 42 612.41 6.838 225 610.53 6.817 41 608.83 6.799 339 347.78 3.884 1000 345.81 3.862 32 319.92 3.573 407
in CDCl3
KBr disc
