| SpectraBase Spectrum ID |
2nIzdHxV0D2 |
| Name |
2-Methoxy-benzoic acid methyl ester |
| CAS Registry Number |
606-45-1 |
| Classification |
Flavor, fragrance |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
166.062994179 u |
| Formula |
C9H10O3 |
| InChI |
InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3 |
| InChIKey |
PFYHAAAQPNMZHO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.176 g/mol |
| Nominal Mass |
166 u |
| Quality |
997 |
| Retention Index |
1320 |
| SMILES |
C=1(C(=CC=CC1)OC)C(OC)=O |
| SPLASH |
splash10-000i-6900000000-2c23b334403c2f3da9c9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl o-methoxybenzoate
o-Anisic acid methyl ester
Methyl-2-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022397 |
