| SpectraBase Compound ID | 5saCBXrG1R4 |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-7(11)8-5-4-6-9(12-2)10(8)13-3/h4-6H,1-3H3 |
| InChIKey | FODUVZQSLRHUMC-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1VpuQJOaa2u |
|---|---|
| Name | 2',3'-Dimethoxyacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-7(11)8-5-4-6-9(12-2)10(8)13-3/h4-6H,1-3H3 |
| InChIKey | FODUVZQSLRHUMC-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C(C)(=O)C1=C(C(=CC=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955668 |