| SpectraBase Compound ID | IzlLyFT6rfp |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-3,10H,4-5H2,1H3 |
| InChIKey | JASXSSFBMBHXIS-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C9H10O4 |
| Exact Mass | 182.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9qktqICroND |
|---|---|
| Name | 3-Methoxy-4,5-methylenedioxybenzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.057908798 u |
| Formula | C9H10O4 |
| InChI | InChI=1S/C9H10O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-3,10H,4-5H2,1H3 |
| InChIKey | JASXSSFBMBHXIS-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | C(O)C=1C=C2C(=C(C1)OC)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876419 |