| SpectraBase Compound ID | 42kbQazUEf |
|---|---|
| InChI | InChI=1S/C15H22S/c1-3-4-5-7-10-14(2)16-13-15-11-8-6-9-12-15/h6,8-9,11-12H,2-5,7,10,13H2,1H3 |
| InChIKey | RFMWANWVTWOOOH-UHFFFAOYSA-N |
| Mol Weight | 234.4 g/mol |
| Molecular Formula | C15H22S |
| Exact Mass | 234.144222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FZoVMHPMxGD |
|---|---|
| Name | 2-(Benzylthio)-1-octene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.144221882 u |
| Formula | C15H22S |
| InChI | InChI=1S/C15H22S/c1-3-4-5-7-10-14(2)16-13-15-11-8-6-9-12-15/h6,8-9,11-12H,2-5,7,10,13H2,1H3 |
| InChIKey | RFMWANWVTWOOOH-UHFFFAOYSA-N |
| Molecular Weight | 234.401 g/mol |
| SMILES | C(SCC=1C=CC=CC1)(=C)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842677 |