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MIXTURE_OF_ISOMERS
SpectraBase Compound ID 4rJYHlqOMg
InChI InChI=1S/2C18H16N2O4/c2*21-11-19-17(9-13-1-5-15(23)6-2-13)18(20-12-22)10-14-3-7-16(24)8-4-14/h2*1-12,23-24H,(H,19,21)(H,20,22)/b2*17-9-,18-10-
InChIKey FJVGGPVZZRYMQR-BSKPPXRGSA-N
Mol Weight 648.67 g/mol
Molecular Formula C36H32N4O8
Exact Mass 648.222014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMvtuJ6g3xi
Name MIXTURE_OF_ISOMERS
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H32N4O8
InChI InChI=1S/2C18H16N2O4/c2*21-11-19-17(9-13-1-5-15(23)6-2-13)18(20-12-22)10-14-3-7-16(24)8-4-14/h2*1-12,23-24H,(H,19,21)(H,20,22)/b2*17-9-,18-10-
InChIKey FJVGGPVZZRYMQR-BSKPPXRGSA-N
Literature Reference Author K.M.ZUCK,S.SHIPLEY,D.J.NEWMAN
Literature Reference Citation J.NAT.PROD.,74,1653(2011)
Literature Reference DOI 10.1021/np200255f
Molecular Weight 648.672 g/mol
Sample ID 39061
Solvent DMSO-D6