| SpectraBase Compound ID | Az2tg6XFHrX |
|---|---|
| InChI | InChI=1S/C11H12O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-8H,1-2H3 |
| InChIKey | WWCPWAFKPMAGTK-UHFFFAOYSA-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 | q5Hi03Bj6q |
|---|---|
| Name | 2-Buten-1-one, 3-methyl-1-phenyl- |
| 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/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-8H,1-2H3 |
| InChIKey | WWCPWAFKPMAGTK-UHFFFAOYSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | CC(=CC(=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947625 |