| SpectraBase Compound ID | G1UmSSD7mOP |
|---|---|
| InChI | InChI=1S/C7H16S/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3 |
| InChIKey | VLZUBQRSSRDWOK-UHFFFAOYSA-N |
| Mol Weight | 132.26 g/mol |
| Molecular Formula | C7H16S |
| Exact Mass | 132.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8tfNSpX608v |
|---|---|
| Name | 2-Hexanethiol, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.097271689 u |
| Formula | C7H16S |
| InChI | InChI=1S/C7H16S/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3 |
| InChIKey | VLZUBQRSSRDWOK-UHFFFAOYSA-N |
| SMILES | C(C(C)(C)S)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94515 |