| SpectraBase Compound ID | 9ADrhHC0Qz5 |
|---|---|
| InChI | InChI=1S/C8H14O2S/c1-5(9)7(3)11-8(4)6(2)10/h7-8H,1-4H3 |
| InChIKey | YGVGCMGLHWUOCP-UHFFFAOYSA-N |
| Mol Weight | 174.26 g/mol |
| Molecular Formula | C8H14O2S |
| Exact Mass | 174.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D6yk7QLu7pE |
|---|---|
| Name | 3-(1-Methyl-2-oxo-propyl)sulfanylbutan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.071450863 u |
| Formula | C8H14O2S |
| InChI | InChI=1S/C8H14O2S/c1-5(9)7(3)11-8(4)6(2)10/h7-8H,1-4H3 |
| InChIKey | YGVGCMGLHWUOCP-UHFFFAOYSA-N |
| Molecular Weight | 174.258 g/mol |
| SMILES | C(SC(C(=O)C)C)(C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962405 |