| SpectraBase Spectrum ID |
AQBnPJvZ37v |
| Name |
Benzoic acid, 3-methoxy-4-methyl-2-(phenylmethoxy)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.120509056 u |
| Formula |
C17H18O4 |
| InChI |
InChI=1S/C17H18O4/c1-12-9-10-14(17(18)20-3)16(15(12)19-2)21-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3 |
| InChIKey |
RVGBELVWXKCBDY-UHFFFAOYSA-N |
| SMILES |
C=1(C(=C(OC)C(=CC1)C)OCC=1C=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911556 |
