| SpectraBase Compound ID | KB0yILdA9Mg |
|---|---|
| InChI | InChI=1S/C5H8OS/c1-3-5(6)4(2)7-3/h3-4H,1-2H3 |
| InChIKey | RMZOERUZYCSGRZ-UHFFFAOYSA-N |
| Mol Weight | 116.18 g/mol |
| Molecular Formula | C5H8OS |
| Exact Mass | 116.029586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYzz7FFsufw |
|---|---|
| Name | trans-2,4-Dimethyl-3-thietanone |
| CAS Registry Number | 72771-00-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C5H8OS |
| InChI | InChI=1S/C5H8OS/c1-3-5(6)4(2)7-3/h3-4H,1-2H3 |
| InChIKey | RMZOERUZYCSGRZ-UHFFFAOYSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | B. Foehlisch, W. Gottstein, Liebigs Ann. Chem. 1768 (1979). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |