| SpectraBase Compound ID | BpAQFXKpwZb |
|---|---|
| InChI | InChI=1S/C12H24S/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h12H,2-11H2,1H3 |
| InChIKey | NNUJFRHPHPUNEC-UHFFFAOYSA-N |
| Mol Weight | 200.38 g/mol |
| Molecular Formula | C12H24S |
| Exact Mass | 200.159872 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GswI7PwwDkM |
|---|---|
| Name | Cyclohexane, (hexylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.159871947 u |
| Formula | C12H24S |
| InChI | InChI=1S/C12H24S/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h12H,2-11H2,1H3 |
| InChIKey | NNUJFRHPHPUNEC-UHFFFAOYSA-N |
| Molecular Weight | 200.384 g/mol |
| SMILES | C(SC1CCCCC1)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957672 |