| SpectraBase Compound ID | IsB0OcDGZG8 |
|---|---|
| InChI | InChI=1S/C15H22O3S/c1-2-4-12(16)15-13(17)7-11(8-14(15)18)10-5-3-6-19-9-10/h10-11,17H,2-9H2,1H3 |
| InChIKey | SDNBDESWJZDINZ-UHFFFAOYSA-N |
| Mol Weight | 282.4 g/mol |
| Molecular Formula | C15H22O3S |
| Exact Mass | 282.128966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gpGnsiQCD3 |
|---|---|
| Name | 2-Butanoyl-3-hydroxy-5-(3-thianyl)-2-cyclohexen-1-one |
| CAS Registry Number | 94723-86-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C15H22O3S |
| InChI | InChI=1S/C15H22O3S/c1-2-4-12(16)15-13(17)7-11(8-14(15)18)10-5-3-6-19-9-10/h10-11,17H,2-9H2,1H3 |
| InChIKey | SDNBDESWJZDINZ-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-270 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |