| SpectraBase Compound ID | C8oTHZQesaJ |
|---|---|
| InChI | InChI=1S/C11H18OS/c1-10(2,3)9-6-8(13)7-11(4,5)12-9/h6H,7H2,1-5H3 |
| InChIKey | KHQAJCUUVMVNRR-UHFFFAOYSA-N |
| Mol Weight | 198.32 g/mol |
| Molecular Formula | C11H18OS |
| Exact Mass | 198.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 23M95b2GXtW |
|---|---|
| Name | 6-Tert-butyl-2,2-dimethyl-3H-pyran-4-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.107836373 u |
| Formula | C11H18OS |
| InChI | InChI=1S/C11H18OS/c1-10(2,3)9-6-8(13)7-11(4,5)12-9/h6H,7H2,1-5H3 |
| InChIKey | KHQAJCUUVMVNRR-UHFFFAOYSA-N |
| Molecular Weight | 198.324 g/mol |
| SMILES | C1(CC(C=C(O1)C(C)(C)C)=S)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9557 |