| SpectraBase Compound ID | EqzpivObkv3 |
|---|---|
| InChI | InChI=1S/C9H16OS/c1-6-3-8(5-10)9(11)4-7(6)2/h8-11H,3-5H2,1-2H3 |
| InChIKey | XZXRNOMYBXSHNX-UHFFFAOYSA-N |
| Mol Weight | 172.29 g/mol |
| Molecular Formula | C9H16OS |
| Exact Mass | 172.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 43NDXEorquZ |
|---|---|
| Name | 1,2-Dimethyl-4-(hydroxymethyl)cyclohexen-5-thiol |
| 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/c1-6-3-8(5-10)9(11)4-7(6)2/h8-11H,3-5H2,1-2H3 |
| InChIKey | XZXRNOMYBXSHNX-UHFFFAOYSA-N |
| Molecular Weight | 172.286 g/mol |
| SMILES | C1(=C(CC(C(C1)CO)S)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.800663 |