| SpectraBase Compound ID | 4YjowSEPBjF |
|---|---|
| InChI | InChI=1S/C14H22S/c1-5-6-11-15-14(3,4)13-9-7-12(2)8-10-13/h7-10H,5-6,11H2,1-4H3 |
| InChIKey | MOYBZKWQFJOMNL-UHFFFAOYSA-N |
| Mol Weight | 222.39 g/mol |
| Molecular Formula | C14H22S |
| Exact Mass | 222.144222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5i2x0DJoe3E |
|---|---|
| Name | Butyl(2-(4-tolyl)propan-2-yl)sulfane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.144221882 u |
| Formula | C14H22S |
| InChI | InChI=1S/C14H22S/c1-5-6-11-15-14(3,4)13-9-7-12(2)8-10-13/h7-10H,5-6,11H2,1-4H3 |
| InChIKey | MOYBZKWQFJOMNL-UHFFFAOYSA-N |
| Molecular Weight | 222.390 g/mol |
| SMILES | CC(C)(C=1C=CC(=CC1)C)SCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930455 |