| SpectraBase Compound ID | C96JC8m1Viv |
|---|---|
| InChI | InChI=1S/C12H14O/c1-2-6-11(9-10-13)12-7-4-3-5-8-12/h2-8,10-11H,9H2,1H3/b6-2+ |
| InChIKey | RWOZLWNDLXADKB-QHHAFSJGSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H8jqJ7BI8au |
|---|---|
| Name | (E)-3-Phenylhex-4-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/c1-2-6-11(9-10-13)12-7-4-3-5-8-12/h2-8,10-11H,9H2,1H3/b6-2+ |
| InChIKey | RWOZLWNDLXADKB-QHHAFSJGSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C\C=C\C(C1=CC=CC=C1)CC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967295 |