| SpectraBase Compound ID | HJwa8RwESBT |
|---|---|
| InChI | InChI=1S/C9H14OS/c1-6-7(2)10-9(3,4)5-8(6)11/h5H2,1-4H3 |
| InChIKey | QUNVBLAXYGZPGE-UHFFFAOYSA-N |
| Mol Weight | 170.27 g/mol |
| Molecular Formula | C9H14OS |
| Exact Mass | 170.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D3RsgzIOYmG |
|---|---|
| Name | 2,2,5,6-Tetramethyl-3H-pyran-4-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.076536244 u |
| Formula | C9H14OS |
| InChI | InChI=1S/C9H14OS/c1-6-7(2)10-9(3,4)5-8(6)11/h5H2,1-4H3 |
| InChIKey | QUNVBLAXYGZPGE-UHFFFAOYSA-N |
| Molecular Weight | 170.270 g/mol |
| SMILES | C1(CC(C(=C(O1)C)C)=S)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965598 |