| SpectraBase Compound ID | G9L3Fe8Vf2Y |
|---|---|
| InChI | InChI=1S/C12H14O/c1-2-11(10-13)8-9-12-6-4-3-5-7-12/h3-11H,2H2,1H3/b9-8+ |
| InChIKey | VZMJSNHSESNODH-CMDGGOBGSA-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 | JLEMZHo4ruB |
|---|---|
| Name | (E)-2-Ethyl-4-phenylbut-3-enal |
| 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(10-13)8-9-12-6-4-3-5-7-12/h3-11H,2H2,1H3/b9-8+ |
| InChIKey | VZMJSNHSESNODH-CMDGGOBGSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(\C=C\C=1C=CC=CC1)(C=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960502 |