| SpectraBase Compound ID | CyVofOmDWE2 |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-8H,1-3H3 |
| InChIKey | OWMXLURRBPTXHT-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 | TxPT8O3qB9 |
|---|---|
| Name | 3-(4-Methoxyphenyl)-2-butanone |
| 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(9(2)12)10-4-6-11(13-3)7-5-10/h4-8H,1-3H3 |
| InChIKey | OWMXLURRBPTXHT-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(C(C=1C=CC(=CC1)OC)C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917853 |