| SpectraBase Spectrum ID |
E7fWCkWLCpd |
| Name |
3,4,5-Trimethoxybenzoic acid, ester with 2-hydroxyacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.110338294 u |
| Formula |
C18H18O6 |
| InChI |
InChI=1S/C18H18O6/c1-21-15-9-13(10-16(22-2)17(15)23-3)18(20)24-11-14(19)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3 |
| InChIKey |
OLPYNOARXAQLHF-UHFFFAOYSA-N |
| Molecular Weight |
330.336 g/mol |
| SMILES |
C=1C(=CC(=C(C1OC)OC)OC)C(OCC(C=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.971805 |
