| SpectraBase Compound ID | 7xHPe4SGRRt |
|---|---|
| InChI | InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7- |
| InChIKey | DKKJNZYHGRUXBS-FPLPWBNLSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnVNiTC5BEX |
|---|---|
| Name | 5,6-Dehydro-kawain |
| CAS Registry Number | 15345-89-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7- |
| InChIKey | DKKJNZYHGRUXBS-FPLPWBNLSA-N |
| Literature Reference | H. Itokawa, M. Morita, Phytochem. 20, 2503 (1981). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |