| SpectraBase Compound ID | 55YcmufHH4B |
|---|---|
| InChI | InChI=1S/C7H8O3/c1-4-5(8)2-3-6(9)7(4)10/h2-3,8-10H,1H3 |
| InChIKey | WPFZLGOGWVNEID-UHFFFAOYSA-N |
| Mol Weight | 140.14 g/mol |
| Molecular Formula | C7H8O3 |
| Exact Mass | 140.047344 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KPzLJCtTo4L |
|---|---|
| Name | 1,2,4-Benzenetriol, 3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.047344115 u |
| Formula | C7H8O3 |
| InChI | InChI=1S/C7H8O3/c1-4-5(8)2-3-6(9)7(4)10/h2-3,8-10H,1H3 |
| InChIKey | WPFZLGOGWVNEID-UHFFFAOYSA-N |
| Molecular Weight | 140.138 g/mol |
| SMILES | OC=1C(=C(C(=CC1)O)O)C |
| Spectrum/Structure Validation Score (Raman) | 0.932813 |