| SpectraBase Compound ID | 6fdwIYOORJT |
|---|---|
| InChI | InChI=1S/C7H16OS/c1-3-6(2)7(9)4-5-8/h6-9H,3-5H2,1-2H3/t6-,7+/m1/s1 |
| InChIKey | CBYLAMCWEXBWEE-RQJHMYQMSA-N |
| Mol Weight | 148.26 g/mol |
| Molecular Formula | C7H16OS |
| Exact Mass | 148.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | bS6c2JBCfi |
|---|---|
| Name | U-4-Methyl-3-sulfanylhexan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.092186308 u |
| Formula | C7H16OS |
| InChI | InChI=1S/C7H16OS/c1-3-6(2)7(9)4-5-8/h6-9H,3-5H2,1-2H3/t6-,7+/m1/s1 |
| InChIKey | CBYLAMCWEXBWEE-RQJHMYQMSA-N |
| Molecular Weight | 148.264 g/mol |
| SMILES | [C@@]([C@](CCO)(S)[H])(CC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843223 |