| SpectraBase Compound ID | 6ArGunQw5UO |
|---|---|
| InChI | InChI=1S/C12H12O/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h2-10H,1H3/b4-2+,5-3+ |
| InChIKey | SFWHKVBQQVMLEC-ZUVMSYQZSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Elj7i8UlbgM |
|---|---|
| Name | (2E,4E)-5-p-Tolylpenta-2,4-dienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h2-10H,1H3/b4-2+,5-3+ |
| InChIKey | SFWHKVBQQVMLEC-ZUVMSYQZSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C=1(\C=C\C=C\C=O)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942054 |