| SpectraBase Compound ID | 2OfdyBoWdDY |
|---|---|
| InChI | InChI=1S/C10H20OS/c1-4-5-6-7-9(2)8-12-10(3)11/h9H,4-8H2,1-3H3 |
| InChIKey | DJKSLTLAANGINN-UHFFFAOYSA-N |
| Mol Weight | 188.33 g/mol |
| Molecular Formula | C10H20OS |
| Exact Mass | 188.123486 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D3iJB7u0EPU |
|---|---|
| Name | 1-Heptanethiol, 2-methyl-, thiolacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.123486437 u |
| Formula | C10H20OS |
| InChI | InChI=1S/C10H20OS/c1-4-5-6-7-9(2)8-12-10(3)11/h9H,4-8H2,1-3H3 |
| InChIKey | DJKSLTLAANGINN-UHFFFAOYSA-N |
| Molecular Weight | 188.329 g/mol |
| SMILES | C(CSC(=O)C)(CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908424 |