| SpectraBase Compound ID | B6cekOxyC7Y |
|---|---|
| InChI | InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12) |
| InChIKey | IBHWREHFNDMRPR-UHFFFAOYSA-N |
| Mol Weight | 170.12 g/mol |
| Molecular Formula | C7H6O5 |
| Exact Mass | 170.021523 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5ubQ1w2FGDj |
|---|---|
| Name | 2,4,6-Trihydroxybenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.021523288 u |
| Formula | C7H6O5 |
| InChI | InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12) |
| InChIKey | IBHWREHFNDMRPR-UHFFFAOYSA-N |
| Molecular Weight | 170.120 g/mol |
| SMILES | OC=1C=C(C(C(O)=O)=C(C1)O)O |
| Spectrum/Structure Validation Score (Raman) | 0.84237 |