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(-)-4-ACETOXYMARILZALLENE
SpectraBase Compound ID DNAaJHm0m13
InChI InChI=1S/C17H22BrClO3/c1-3-7-14-8-4-5-10-16(19)17(22-14)12-15(9-6-11-18)21-13(2)20/h3-5,7,9,11,14-17H,8,10,12H2,1-2H3/b5-4-,7-3+/t6?,14-,15?,16+,17+/m0/s1
InChIKey BUAQGGUCIOVTOG-VCFDFAHUSA-N
Mol Weight 389.72 g/mol
Molecular Formula C17H22BrClO3
Exact Mass 388.044085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lLtTNuyoPh
Name (-)-4-ACETOXYMARILZALLENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22BrClO3
InChI InChI=1S/C17H22BrClO3/c1-3-7-14-8-4-5-10-16(19)17(22-14)12-15(9-6-11-18)21-13(2)20/h3-5,7,9,11,14-17H,8,10,12H2,1-2H3/b5-4-,7-3+/t6?,14-,15?,16+,17+/m0/s1
InChIKey BUAQGGUCIOVTOG-VCFDFAHUSA-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 389.717 g/mol
Sample ID 37477
Solvent CDCl3