| SpectraBase Compound ID | 59u8Qqer4US |
|---|---|
| InChI | InChI=1S/C13H14O3S/c14-13-9-5-4-6-11(13)10-17(15,16)12-7-2-1-3-8-12/h1-3,6-8H,4-5,9-10H2 |
| InChIKey | QAKDNWXPTKKBCD-UHFFFAOYSA-N |
| Mol Weight | 250.31 g/mol |
| Molecular Formula | C13H14O3S |
| Exact Mass | 250.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtAusiplhqj |
|---|---|
| Name | 2-Phenylsulfonylmethyl-cyclohex-2-en-1-one |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H14O3S |
| InChI | InChI=1S/C13H14O3S/c14-13-9-5-4-6-11(13)10-17(15,16)12-7-2-1-3-8-12/h1-3,6-8H,4-5,9-10H2 |
| InChIKey | QAKDNWXPTKKBCD-UHFFFAOYSA-N |
| Literature Reference | R. Tamura, H. Katayama, K. Watabe, Tetrahedron 46, 7557 (1990). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |