| SpectraBase Compound ID | Ipy7CAaaQ1Z |
|---|---|
| InChI | InChI=1S/C11H12O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-8H,9H2,1H3/b6-5+ |
| InChIKey | FBDLPZQWOVGYJU-AATRIKPKSA-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 | zMP40kHIiS |
|---|---|
| Name | 3-Penten-2-one, 5-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/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-8H,9H2,1H3/b6-5+ |
| InChIKey | FBDLPZQWOVGYJU-AATRIKPKSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | C(\C=C\C(C)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830919 |