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OBTUSALLENE_X
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91Gn2G55M0o
Name OBTUSALLENE_X
Compound Number 3B
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 37470
Solvent CDCl3