| SpectraBase Compound ID | 4Yuf6FIvlu8 |
|---|---|
| InChI | InChI=1S/C12H14O/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h3,5-10H,2,4H2,1H3/b5-3+ |
| InChIKey | WGMHONMCZRYADG-HWKANZROSA-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 | 1V2PSrdvlVi |
|---|---|
| Name | (E)-5-(4-Methylphenyl)-4-pentenal |
| 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/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h3,5-10H,2,4H2,1H3/b5-3+ |
| InChIKey | WGMHONMCZRYADG-HWKANZROSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(CC\C=C\C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923018 |