| SpectraBase Compound ID | Dd0nhMu2fG2 |
|---|---|
| InChI | InChI=1S/C15H19Br2ClO3/c1-8-15-14(21-15)6-10(17)12-7-11(18)13(20-12)5-9(19-8)3-2-4-16/h3-4,8-15H,5-7H2,1H3/t2?,8-,9-,10-,11+,12-,13+,14+,15+/m0/s1 |
| InChIKey | KKVLDYZJUNUWNP-WBMUAMOFSA-N |
| Mol Weight | 442.58 g/mol |
| Molecular Formula | C15H19Br2ClO3 |
| Exact Mass | 439.938948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54o2AS3wfKB |
|---|---|
| Name | 12-EPOXYOBTUSALLENE_IV |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H19Br2ClO3 |
| InChI | InChI=1S/C15H19Br2ClO3/c1-8-15-14(21-15)6-10(17)12-7-11(18)13(20-12)5-9(19-8)3-2-4-16/h3-4,8-15H,5-7H2,1H3/t2?,8-,9-,10-,11+,12-,13+,14+,15+/m0/s1 |
| InChIKey | KKVLDYZJUNUWNP-WBMUAMOFSA-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 | 442.575 g/mol |
| Sample ID | 37467 |
| Solvent | CDCl3 |