![Pentane, 1-[(1-methylethyl)thio]-](/api/spectrum/4biv8I5RPuA/structure.png?h=300&w=458 "Pentane, 1-[(1-methylethyl)thio]-")
| SpectraBase Compound ID | 3nF1WgeTZwE |
|---|---|
| InChI | InChI=1S/C8H18S/c1-4-5-6-7-9-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | RLUYWKZJDJALNT-UHFFFAOYSA-N |
| Mol Weight | 146.29 g/mol |
| Molecular Formula | C8H18S |
| Exact Mass | 146.112922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4biv8I5RPuA |
|---|---|
| Name | Pentane, 1-[(1-methylethyl)thio]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.112921754 u |
| Formula | C8H18S |
| InChI | InChI=1S/C8H18S/c1-4-5-6-7-9-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | RLUYWKZJDJALNT-UHFFFAOYSA-N |
| Molecular Weight | 146.292 g/mol |
| SMILES | C(SC(C)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924479 |