| SpectraBase Compound ID | AzW49TtUaZV |
|---|---|
| InChI | InChI=1S/C14H18OS/c1-3-16-12(2)11-14(9-10-15)13-7-5-4-6-8-13/h4-8,10,14H,2-3,9,11H2,1H3 |
| InChIKey | NTWQXBXLVSAEEI-UHFFFAOYSA-N |
| Mol Weight | 234.36 g/mol |
| Molecular Formula | C14H18OS |
| Exact Mass | 234.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2DI87qYAJLR |
|---|---|
| Name | 5-Ethylthio-3-phenylhexenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.107836373 u |
| Formula | C14H18OS |
| InChI | InChI=1S/C14H18OS/c1-3-16-12(2)11-14(9-10-15)13-7-5-4-6-8-13/h4-8,10,14H,2-3,9,11H2,1H3 |
| InChIKey | NTWQXBXLVSAEEI-UHFFFAOYSA-N |
| Molecular Weight | 234.357 g/mol |
| SMILES | C(CC(C=1C=CC=CC1)CC=O)(=C)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924691 |