| SpectraBase Compound ID | 92cLCskDZdR |
|---|---|
| InChI | InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) |
| InChIKey | SJSOFNCYXJUNBT-UHFFFAOYSA-N |
| Mol Weight | 212.2 g/mol |
| Molecular Formula | C10H12O5 |
| Exact Mass | 212.068473 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1ANQgdkFJm7 |
|---|---|
| Name | 3,4,5-Trimethoxybenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.068473481 u |
| Formula | C10H12O5 |
| InChI | InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) |
| InChIKey | SJSOFNCYXJUNBT-UHFFFAOYSA-N |
| Molecular Weight | 212.201 g/mol |
| SMILES | OC(C1=CC(=C(C(=C1)OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.980524 |