Vanillyl alcohol(498-00-0) Raman
Product NameVanillyl alcohol
CAS498-00-0
Molecular FormulaC8H10O3
Molecular Weight154.16
InChIInChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
InChIKey ZENOXNGFMSCLLL-UHFFFAOYSA-N
SmilesC1(CO)=CC=C(O)C(OC)=C1
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MassMS-NW-4668 vanillyl alcohol C8H10O3 (Mass of molecular ion: 154)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.4 17.0 2.5 18.0 10.6 26.0 3.0 27.0 10.9 28.0 4.1 29.0 8.8 31.0 6.0 32.5 1.3 37.0 3.1 38.0 7.1 39.0 35.9 40.0 4.1 41.0 6.6 42.0 1.7 43.0 5.1 44.0 1.2 49.0 1.8 50.0 9.7 51.0 20.7 52.0 13.0 53.0 11.2 54.0 3.6 55.0 12.8 61.0 2.3 62.0 4.4 63.0 8.8 64.0 4.4 65.0 74.5 66.0 10.3 67.0 4.6 68.0 1.4 69.0 1.4 74.0 1.7 75.0 2.2 76.0 1.6 77.0 16.2 78.0 12.2 79.0 6.2 80.0 2.7 81.0 10.5 82.0 7.1 83.0 10.8 89.0 1.0 90.0 3.1 91.0 1.8 92.0 2.5 93.0 67.5 94.0 21.2 95.0 10.5 96.0 1.1 97.0 2.1 104.0 1.4 105.0 12.3 106.0 12.0 107.0 16.8 108.0 6.5 109.0 7.4 110.0 7.8 111.0 14.0 112.0 1.2 118.0 2.3 119.0 1.6 121.0 9.7 122.0 26.6 123.0 21.8 124.0 2.5 125.0 27.7 126.0 2.5 135.0 8.6 136.0 14.1 137.0 47.7 138.0 7.3 139.0 7.7 151.0 5.7 152.0 3.3 153.0 22.3 154.0 100.0 155.0 10.8 156.0 2.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H10 O3 0.040 g : 0.5 ml DMSO-d6 vanillyl alcohol 
Assign. Shift(ppm)
A 8.79 B 6.885 C 6.717 D 6.708 E 5.02 F 4.382 G 3.751
Hz ppm Int.3513.03 8.791 60 2752.23 6.887 161 2751.31 6.885 162 2691.35 6.735 38 2683.56 6.715 317 2680.82 6.708 169 2674.10 6.692 22 2672.58 6.688 27 2010.96 5.032 28 2006.23 5.020 49 2001.04 5.007 30 1753.39 4.388 153 1749.11 4.377 153 1499.33 3.752 1000
in DMSO-d6
in CDCl3
KBr disc
nujol mull
