| SpectraBase Compound ID | FwNj4Z9ggzK |
|---|---|
| InChI | InChI=1S/C15H20BrClO2/c1-2-6-13-8-3-4-9-14(17)15(19-13)11-12(18)7-5-10-16/h2-4,6-7,10,12-15,18H,8-9,11H2,1H3/b4-3-,6-2+/t5?,12-,13-,14+,15+/m0/s1 |
| InChIKey | UAKMIDIJYGIRKO-LFOVUXSZSA-N |
| Mol Weight | 347.68 g/mol |
| Molecular Formula | C15H20BrClO2 |
| Exact Mass | 346.033521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wPK8fwcseF |
|---|---|
| Name | MARILZALLENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H20BrClO2 |
| InChI | InChI=1S/C15H20BrClO2/c1-2-6-13-8-3-4-9-14(17)15(19-13)11-12(18)7-5-10-16/h2-4,6-7,10,12-15,18H,8-9,11H2,1H3/b4-3-,6-2+/t5?,12-,13-,14+,15+/m0/s1 |
| InChIKey | UAKMIDIJYGIRKO-LFOVUXSZSA-N |
| Literature Reference Author | A.GUTIERREZ-CEPEDA,J.J.FERNANDEZ,L.V.GIL,M.LOPEZ-RODRIGUEZ,M .NORTE,M.L.SOUTO |
| Literature Reference Citation | J.NAT.PROD.,74,441(2011) |
| Literature Reference DOI | 10.1021/np100866g |
| Molecular Weight | 347.680 g/mol |
| Sample ID | 37476 |
| Solvent | CDCl3 |