| SpectraBase Compound ID | JFRiTHPFS0L |
|---|---|
| InChI | InChI=1S/C9H8O4/c1-5-2-6(4-10)8(11)7(3-5)9(12)13/h2-4,11H,1H3,(H,12,13) |
| InChIKey | CNLMEVZLTPWXQO-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1KQPylGwFFJ |
|---|---|
| Name | 3-Formyl-2-hydroxy-5-methyl-benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.042258734 u |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c1-5-2-6(4-10)8(11)7(3-5)9(12)13/h2-4,11H,1H3,(H,12,13) |
| InChIKey | CNLMEVZLTPWXQO-UHFFFAOYSA-N |
| Molecular Weight | 180.159 g/mol |
| SMILES | C(C=1C(=C(C=C(C1)C)C=O)O)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830666 |