| SpectraBase Compound ID | G56cLCEcNQF |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8-4-10(6-9(2)12)7-11(5-8)13-3/h4-5,7H,6H2,1-3H3 |
| InChIKey | SBBDNDBDUWPAST-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 92oVYxY7W8s |
|---|---|
| Name | 3-Methoxy-5-methylphenylacetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-8-4-10(6-9(2)12)7-11(5-8)13-3/h4-5,7H,6H2,1-3H3 |
| InChIKey | SBBDNDBDUWPAST-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1(=CC(C)=CC(=C1)OC)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878582 |