| SpectraBase Compound ID | 1YBVJ4RlePT |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8-4-5-11(13-3)10(6-8)7-9(2)12/h4-6H,7H2,1-3H3 |
| InChIKey | NDFZYLDPXNNIRV-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 | 2lCGSiMeDji |
|---|---|
| Name | 2-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/c1-8-4-5-11(13-3)10(6-8)7-9(2)12/h4-6H,7H2,1-3H3 |
| InChIKey | NDFZYLDPXNNIRV-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1(=CC(C)=CC=C1OC)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967392 |