| SpectraBase Compound ID | 6wRnq2Ldtrz |
|---|---|
| InChI | InChI=1S/C7H6O4.3H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;;/h1-3,8-9H,(H,10,11);3*1H2 |
| InChIKey | RTBSPUJKJMTGTQ-UHFFFAOYSA-N |
| Mol Weight | 208.166 g/mol |
| Molecular Formula | C7H12O7 |
| Exact Mass | 208.058303 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6iHzG2o0Lb0 |
|---|---|
| Name | 2,4-Dihydroxybenzoic acid, trihydrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.058302719 u |
| Formula | C7H12O7 |
| InChI | InChI=1S/C7H6O4.3H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;;/h1-3,8-9H,(H,10,11);3*1H2 |
| InChIKey | RTBSPUJKJMTGTQ-UHFFFAOYSA-N |
| Molecular Weight | 208.166 g/mol |
| SMILES | O.OC1=CC(=C(C(O)=O)C=C1)O.O.O |
| Spectrum/Structure Validation Score (Raman) | 0.980281 |