| SpectraBase Compound ID | AAAupgALS3Q |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-12-6-9(11)13-8-4-2-3-7(10)5-8/h2-5,10H,6H2,1H3 |
| InChIKey | YZOQEWOQGLPQTK-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 | 5SSHEOsSwUT |
|---|---|
| Name | 1,3-Benzenediol, o-methoxyacetyl- |
| 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/c1-12-6-9(11)13-8-4-2-3-7(10)5-8/h2-5,10H,6H2,1H3 |
| InChIKey | YZOQEWOQGLPQTK-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(COC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960033 |