| SpectraBase Compound ID | 6WiFeg6LK0K |
|---|---|
| InChI | InChI=1S/C20H26S/c1-3-9-17(10-4-1)15-19(18-11-7-8-12-18)16-21-20-13-5-2-6-14-20/h1,3-4,7,9-11,15,18,20H,2,5-6,8,12-14,16H2/b19-15+ |
| InChIKey | IHVPWHMUGPERQT-XDJHFCHBSA-N |
| Mol Weight | 298.49 g/mol |
| Molecular Formula | C20H26S |
| Exact Mass | 298.175522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HVdeWrqzHQv |
|---|---|
| Name | (Z)-Cyclohexyl(2-(cyclopent-2-enyl)-3-phenylallyl)sulfane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.175522011 u |
| Formula | C20H26S |
| InChI | InChI=1S/C20H26S/c1-3-9-17(10-4-1)15-19(18-11-7-8-12-18)16-21-20-13-5-2-6-14-20/h1,3-4,7,9-11,15,18,20H,2,5-6,8,12-14,16H2/b19-15+ |
| InChIKey | IHVPWHMUGPERQT-XDJHFCHBSA-N |
| SMILES | C=1C=CC=CC1\C=C\(C1C=CCC1)CSC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904326 |