| SpectraBase Compound ID | E1RcRKwXkLY |
|---|---|
| InChI | InChI=1S/C15H22BrClO2/c1-13(2)7-6-12(18)15(4,19-13)10-5-8-14(3,17)11(16)9-10/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11-,14-,15+/m0/s1 |
| InChIKey | PXPRNVNJRBIVSF-LWWSYDQCSA-N |
| Mol Weight | 349.7 g/mol |
| Molecular Formula | C15H22BrClO2 |
| Exact Mass | 348.049171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdtiKuClwcQ |
|---|---|
| Name | CAESPITENONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H22BrClO2 |
| InChI | InChI=1S/C15H22BrClO2/c1-13(2)7-6-12(18)15(4,19-13)10-5-8-14(3,17)11(16)9-10/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11-,14-,15+/m0/s1 |
| InChIKey | PXPRNVNJRBIVSF-LWWSYDQCSA-N |
| Literature Reference Author | M.WESSELS,G.M.KOENIG,A.D.WRIGHT |
| Literature Reference Citation | J.NAT.PROD.,63,920(2000) |
| Literature Reference DOI | 10.1021/np9905721 |
| Molecular Weight | 349.695 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8536 |