| SpectraBase Compound ID | AwSCFSUx9FE |
|---|---|
| InChI | InChI=1S/C11H14OS/c1-3-8-13(12)9-11-6-4-10(2)5-7-11/h3-8H,9H2,1-2H3/b8-3+ |
| InChIKey | WGFYQRUHAOVRDW-FPYGCLRLSA-N |
| Mol Weight | 194.29 g/mol |
| Molecular Formula | C11H14OS |
| Exact Mass | 194.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 75rLUbMQHMP |
|---|---|
| Name | (E)-3-(Tolylmethylsulfinyl)propene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.076536244 u |
| Formula | C11H14OS |
| InChI | InChI=1S/C11H14OS/c1-3-8-13(12)9-11-6-4-10(2)5-7-11/h3-8H,9H2,1-2H3/b8-3+ |
| InChIKey | WGFYQRUHAOVRDW-FPYGCLRLSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C\C=C\S(=O)CC=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870352 |