| SpectraBase Spectrum ID |
JdkFBzqj6zP |
| Name |
2,3,4-Trimethoxybenzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.099773610 u |
| Formula |
C12H16O5 |
| InChI |
InChI=1S/C12H16O5/c1-5-17-12(13)8-6-7-9(14-2)11(16-4)10(8)15-3/h6-7H,5H2,1-4H3 |
| InChIKey |
QTUNGESOZAVCDR-UHFFFAOYSA-N |
| Molecular Weight |
240.255 g/mol |
| SMILES |
C1(=C(C(OCC)=O)C=CC(=C1OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868604 |
