| SpectraBase Compound ID | IPwyhMhiVBT |
|---|---|
| InChI | InChI=1S/C10H18OS/c1-9(11)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3 |
| InChIKey | NDSUDAFGHSWVKG-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 | FsjUOUeVyHx |
|---|---|
| Name | Cyclohexaneethanethiol, thiolacetate |
| 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/c1-9(11)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3 |
| InChIKey | NDSUDAFGHSWVKG-UHFFFAOYSA-N |
| Molecular Weight | 186.313 g/mol |
| SMILES | C1CCC(CC1)CCSC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918398 |