Product NameMethyl vanillate
CAS3943-74-6
Molecular FormulaC9H10O4
Molecular Weight182.17
InChI
InChIKey
Smiles
Mass
MS-NW-9697 methyl vanillate C9H10O4 (Mass of molecular ion: 182)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 2.2 39.0 1.5 41.0 1.4 50.0 1.6 51.0 3.9 52.0 5.1 53.0 2.4 55.0 1.9 59.0 1.0 63.0 1.7 65.0 3.6 67.0 1.9 77.0 2.8 79.0 2.5 80.0 2.5 91.0 1.5 92.0 1.1 93.0 2.1 108.0 5.1 109.0 1.1 111.0 2.5 121.0 1.0 123.0 17.1 124.0 1.5 136.0 2.3 137.0 1.5 139.0 2.7 151.0 100.0 152.0 9.6 153.0 1.1 167.0 5.4 181.0 1.5 182.0 73.8 183.0 8.3 184.0 1.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C9 H10 O4 | 0.038 g : 0.5 ml CDCl3 |
methyl vanillate |
Assign. Shift(ppm) |
Hz ppm Int.
3056.40 7.648 88 3054.44 7.643 92 3048.10 7.627 93 3046.14 7.623 101 3016.85 7.549 140 3015.01 7.545 128 2777.34 6.950 168 2769.04 6.929 160 2512.70 6.288 172 1567.14 3.922 804 1553.96 3.889 1000
in CDCl3
KBr disc
nujol mull
Methyl vanillate(3943-74-6) Raman Atlas of Related Products
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