Homovanillyl alcohol(2380-78-1) Raman
Product NameHomovanillyl alcohol
CAS2380-78-1
Molecular FormulaC9H12O3
Molecular Weight168.19
InChIInChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
InChIKey XHUBSJRBOQIZNI-UHFFFAOYSA-N
SmilesC1(CCO)=CC=C(O)C(OC)=C1
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MassMS-NW-6604 4-hydroxy-3-methoxyphenethyl alcohol C9H12O3 (Mass of molecular ion: 168)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.4 27.0 1.5 28.0 4.8 29.0 1.5 31.0 2.9 32.0 1.0 39.0 4.0 40.0 1.1 41.0 1.1 43.0 1.1 50.0 1.4 51.0 4.5 52.0 1.6 53.0 1.5 55.0 2.0 63.0 1.2 65.0 2.8 66.0 2.5 77.0 4.9 78.0 1.8 79.0 1.7 91.0 1.5 94.0 6.7 95.0 1.3 105.0 1.3 106.0 1.2 107.0 2.6 122.0 12.1 123.0 2.9 135.0 1.9 137.0 100.0 138.0 9.9 139.0 1.0 150.0 1.6 168.0 28.5 169.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O3 saturated in CDCl3 4-hydroxy-3-methoxyphenethyl alcohol 
Assign. Shift(ppm)
A 6.85 B 6.74 C 6.74 D 5.51 E 3.883 F 3.82 G 2.795 J 1.46
Hz ppm Int.619.69 6.920 70 611.19 6.825 226 606.06 6.768 39 604.25 6.747 178 603.81 6.742 188 601.88 6.721 65 349.50 3.903 86 347.81 3.884 1000 342.94 3.830 200 336.63 3.759 109 256.63 2.866 86 250.25 2.795 146 243.88 2.724 63 130.38 1.456 55
in CDCl3
KBr disc
nujol mull
