| SpectraBase Compound ID | 1MTwcaeU2NC |
|---|---|
| InChI | InChI=1S/C12H14O/c1-2-11(9-6-10-13)12-7-4-3-5-8-12/h2-5,7-8,10H,6,9H2,1H3/b11-2+ |
| InChIKey | DTQVIGRROXYTAQ-BIIKFXOESA-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 | E7Fl4bsbZBM |
|---|---|
| Name | (E)-4-Phenyl-4-hexenal |
| 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/c1-2-11(9-6-10-13)12-7-4-3-5-8-12/h2-5,7-8,10H,6,9H2,1H3/b11-2+ |
| InChIKey | DTQVIGRROXYTAQ-BIIKFXOESA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C=1(\C(=C\C)CCC=O)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949742 |