| SpectraBase Compound ID | DiYYKN8duri |
|---|---|
| InChI | InChI=1S/C7H12OS/c1-5-6(2)9-4-3-7(5)8/h5-6H,3-4H2,1-2H3 |
| InChIKey | GQAFYRKCTYPLIV-UHFFFAOYSA-N |
| Mol Weight | 144.23 g/mol |
| Molecular Formula | C7H12OS |
| Exact Mass | 144.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GPqj8F9l6jl |
|---|---|
| Name | 4H-Thiopyran-4-one, tetrahydro-, 2,3-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.060886179 u |
| Formula | C7H12OS |
| InChI | InChI=1S/C7H12OS/c1-5-6(2)9-4-3-7(5)8/h5-6H,3-4H2,1-2H3 |
| InChIKey | GQAFYRKCTYPLIV-UHFFFAOYSA-N |
| Molecular Weight | 144.232 g/mol |
| SMILES | C1CSC(C(C1=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960695 |