| SpectraBase Compound ID | GrgzKRSBb3K |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-12-9-3-7(5-10)2-8(4-9)6-11/h2-4,10-11H,5-6H2,1H3 |
| InChIKey | QFWVNEBRTUUHIE-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Bsf2g4a3DDj |
|---|---|
| Name | 5-Methoxy-1,3-benzenedimethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-12-9-3-7(5-10)2-8(4-9)6-11/h2-4,10-11H,5-6H2,1H3 |
| InChIKey | QFWVNEBRTUUHIE-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | COC1=CC(=CC(=C1)CO)CO |
| Spectrum/Structure Validation Score (Raman) | 0.985856 |