| SpectraBase Compound ID | AhMKOdcho1U |
|---|---|
| InChI | InChI=1S/C11H12O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+ |
| InChIKey | WWKYHTRCYYCAPU-BQYQJAHWSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C11H12O |
| Exact Mass | 160.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 196p3lBWLWs |
|---|---|
| Name | 2-Methyl-4-phenylbut-3-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.088815005 u |
| Formula | C11H12O |
| InChI | InChI=1S/C11H12O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+ |
| InChIKey | WWKYHTRCYYCAPU-BQYQJAHWSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | C(C(\C=C\C=1C=CC=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931738 |