| SpectraBase Compound ID | 1VgZOwLvyTq |
|---|---|
| InChI | InChI=1S/C11H14O5/c1-14-8-6-10(16-3)9(15-2)4-7(8)5-11(12)13/h4,6H,5H2,1-3H3,(H,12,13) |
| InChIKey | GTIOLZZDMYEQGY-UHFFFAOYSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C11H14O5 |
| Exact Mass | 226.084124 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BEHiS7vsqbS |
|---|---|
| Name | (2,4,5-Trimethoxyphenyl)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.084123546 u |
| Formula | C11H14O5 |
| InChI | InChI=1S/C11H14O5/c1-14-8-6-10(16-3)9(15-2)4-7(8)5-11(12)13/h4,6H,5H2,1-3H3,(H,12,13) |
| InChIKey | GTIOLZZDMYEQGY-UHFFFAOYSA-N |
| Molecular Weight | 226.228 g/mol |
| SMILES | OC(CC1=C(C=C(C(=C1)OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98184 |