| SpectraBase Compound ID | 9uTyuXME58J |
|---|---|
| InChI | InChI=1S/C9H16OS/c1-8(10)11-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3 |
| InChIKey | SARKVIALWOJVNK-UHFFFAOYSA-N |
| Mol Weight | 172.29 g/mol |
| Molecular Formula | C9H16OS |
| Exact Mass | 172.092186 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9WxgHGYayfg |
|---|---|
| Name | Cyclohexylmethanethiol acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.092186308 u |
| Formula | C9H16OS |
| InChI | InChI=1S/C9H16OS/c1-8(10)11-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3 |
| InChIKey | SARKVIALWOJVNK-UHFFFAOYSA-N |
| Molecular Weight | 172.286 g/mol |
| SMILES | C1CCC(CC1)CSC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.923168 |