| SpectraBase Compound ID | 3gmcsReFCqt |
|---|---|
| InChI | InChI=1S/C12H18S/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey | DOHLZBMKORLTKE-UHFFFAOYSA-N |
| Mol Weight | 194.34 g/mol |
| Molecular Formula | C12H18S |
| Exact Mass | 194.112922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IYtquSHcgBF |
|---|---|
| Name | (Hexylthio)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.112921754 u |
| Formula | C12H18S |
| InChI | InChI=1S/C12H18S/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey | DOHLZBMKORLTKE-UHFFFAOYSA-N |
| Molecular Weight | 194.336 g/mol |
| SMILES | C1=CC=CC=C1SCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862353 |