| SpectraBase Compound ID | IgNgZAxvXVa |
|---|---|
| InChI | InChI=1S/C10H18OS/c1-8-6-4-3-5-7-10(8)12-9(2)11/h8,10H,3-7H2,1-2H3 |
| InChIKey | KMEXXYQYTPGUOQ-UHFFFAOYSA-N |
| Mol Weight | 186.31 g/mol |
| Molecular Formula | C10H18OS |
| Exact Mass | 186.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9KghqFfuGGZ |
|---|---|
| Name | Cycloheptanethiol, 2-methyl-, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.107836373 u |
| Formula | C10H18OS |
| InChI | InChI=1S/C10H18OS/c1-8-6-4-3-5-7-10(8)12-9(2)11/h8,10H,3-7H2,1-2H3 |
| InChIKey | KMEXXYQYTPGUOQ-UHFFFAOYSA-N |
| Molecular Weight | 186.313 g/mol |
| SMILES | C1(SC(=O)C)C(CCCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821201 |