| SpectraBase Compound ID | CmyltR9JEmE |
|---|---|
| InChI | InChI=1S/C11H8O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8,10H/b6-2+ |
| InChIKey | ITSBONMIJFJBJR-QHHAFSJGSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C11H8O |
| Exact Mass | 156.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Do1KTuaANtR |
|---|---|
| Name | (E)-5-Phenylpent-2-en-4-ynal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.057514877 u |
| Formula | C11H8O |
| InChI | InChI=1S/C11H8O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8,10H/b6-2+ |
| InChIKey | ITSBONMIJFJBJR-QHHAFSJGSA-N |
| Molecular Weight | 156.184 g/mol |
| SMILES | C(#CC=1C=CC=CC1)\C=C\C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951811 |