| SpectraBase Compound ID | 3TF6WGyAYlN |
|---|---|
| InChI | InChI=1S/C12H14OS/c1-2-3-7-12(10-13)14-11-8-5-4-6-9-11/h4-10H,2-3H2,1H3/b12-7- |
| InChIKey | UEGWPPOYNWGASE-GHXNOFRVSA-N |
| Mol Weight | 206.3 g/mol |
| Molecular Formula | C12H14OS |
| Exact Mass | 206.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JYUbaaBGUSF |
|---|---|
| Name | (Z)-2-Phenylsulfanyl-2-hexenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.076536244 u |
| Formula | C12H14OS |
| InChI | InChI=1S/C12H14OS/c1-2-3-7-12(10-13)14-11-8-5-4-6-9-11/h4-10H,2-3H2,1H3/b12-7- |
| InChIKey | UEGWPPOYNWGASE-GHXNOFRVSA-N |
| Molecular Weight | 206.303 g/mol |
| SMILES | C=1(S\C(=C/CCC)C=O)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948779 |