| SpectraBase Compound ID | HRbhh07U3LZ |
|---|---|
| InChI | InChI=1S/C15H20Br3ClO3/c1-8-15(20)11(18)6-10(17)13-7-12(19)14(22-13)5-9(21-8)3-2-4-16/h3-4,8-15,20H,5-7H2,1H3/t2?,8-,9-,10-,11+,12+,13-,14+,15+/m0/s1 |
| InChIKey | OHASWVSPSQGKRD-MTXXWRRWSA-N |
| Mol Weight | 523.49 g/mol |
| Molecular Formula | C15H20Br3ClO3 |
| Exact Mass | 519.865111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5F7ZrL4pqx5 |
|---|---|
| Name | OBTUSALLENE_X |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H20Br3ClO3 |
| InChI | InChI=1S/C15H20Br3ClO3/c1-8-15(20)11(18)6-10(17)13-7-12(19)14(22-13)5-9(21-8)3-2-4-16/h3-4,8-15,20H,5-7H2,1H3/t2?,8-,9-,10-,11+,12+,13-,14+,15+/m0/s1 |
| InChIKey | OHASWVSPSQGKRD-MTXXWRRWSA-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 | 523.487 g/mol |
| Sample ID | 37469 |
| Solvent | CDCl3 |