| SpectraBase Compound ID | BpWY9BHPkoQ |
|---|---|
| InChI | InChI=1S/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-10H/b6-2-,9-5+ |
| InChIKey | UWTZBVTWSKWXMN-JJCLXCMFSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C11H10O |
| Exact Mass | 158.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LHDajlHlGcY |
|---|---|
| Name | 2,4-Pentadienal, 5-phenyl-, (Z,E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.073164941 u |
| Formula | C11H10O |
| InChI | InChI=1S/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-10H/b6-2-,9-5+ |
| InChIKey | UWTZBVTWSKWXMN-JJCLXCMFSA-N |
| Molecular Weight | 158.200 g/mol |
| SMILES | C=1(\C=C\C=C/C=O)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960905 |