| SpectraBase Compound ID | KHd9vJHaJN5 |
|---|---|
| InChI | InChI=1S/C12H12O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h1-7,9-11H,8H2/b4-1+,7-2- |
| InChIKey | PZJFDJDISKLZLF-MFTLUYHJSA-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 | KxQn36Zjb3D |
|---|---|
| Name | (2Z,4E)-6-Phenylhexa-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/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h1-7,9-11H,8H2/b4-1+,7-2- |
| InChIKey | PZJFDJDISKLZLF-MFTLUYHJSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C(\C=C\C=C/C=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957814 |