| SpectraBase Compound ID | DRDbQ3FvpyK |
|---|---|
| InChI | InChI=1S/C11H20OS/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7,12H,1-6H3/b8-7- |
| InChIKey | JSSHZAKCNYYNPU-FPLPWBNLSA-N |
| Mol Weight | 200.34 g/mol |
| Molecular Formula | C11H20OS |
| Exact Mass | 200.123486 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EtQ62Xolm2q |
|---|---|
| Name | 2,2,6,6-Tetramethyl-3-thio-4-hepten-5-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.123486437 u |
| Formula | C11H20OS |
| InChI | InChI=1S/C11H20OS/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7,12H,1-6H3/b8-7- |
| InChIKey | JSSHZAKCNYYNPU-FPLPWBNLSA-N |
| Molecular Weight | 200.340 g/mol |
| SMILES | C(\C(=C\C(C(C)(C)C)=S)O)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944352 |