| SpectraBase Compound ID | Jr3NWSlulxr |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3 |
| InChIKey | ZFBNNSOJNZBLLS-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 | 22NexDGAorF |
|---|---|
| Name | 2,6-Dimethoxy-4-methylphenol |
| 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/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3 |
| InChIKey | ZFBNNSOJNZBLLS-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C1(OC)=CC(=CC(=C1O)OC)C |
| Spectrum/Structure Validation Score (Raman) | 0.785523 |