| SpectraBase Compound ID | FUiQSKHl4cD |
|---|---|
| InChI | InChI=1S/C12H14O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h2-3,5-7,9-11H,1,4,8H2/b7-2+ |
| InChIKey | JDOAIIWUMRRAQV-FARCUNLSSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KqfqyrDQuXw |
|---|---|
| Name | 2-Hexenal, 6-phenyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h2-3,5-7,9-11H,1,4,8H2/b7-2+ |
| InChIKey | JDOAIIWUMRRAQV-FARCUNLSSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(CC1=CC=CC=C1)C\C=C\C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945492 |