| SpectraBase Compound ID | CliHvC9qd7p |
|---|---|
| InChI | InChI=1S/C7H12OS/c1-7(2)5-9-4-3-6(7)8/h3-5H2,1-2H3 |
| InChIKey | NOIKXGKLRGMDAB-UHFFFAOYSA-N |
| Mol Weight | 144.23 g/mol |
| Molecular Formula | C7H12OS |
| Exact Mass | 144.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1m3330vZoK |
|---|---|
| Name | 3,3-dimethylthian-4-one |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H12OS |
| InChI | InChI=1S/C7H12OS/c1-7(2)5-9-4-3-6(7)8/h3-5H2,1-2H3 |
| InChIKey | NOIKXGKLRGMDAB-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 144.232 g/mol |
| Source File Reference | MHKO2397 |