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3-Acetyl-5-methyl-8-oxo-6,8-diphenyl-4-(4-bromo-phenyl)-cis-2,trans-4,cis-6-octatrien-2-ol

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3-Acetyl-5-methyl-8-oxo-6,8-diphenyl-4-(4-bromo-phenyl)-cis-2,trans-4,cis-6-octatrien-2-ol
SpectraBase Compound ID Bm2tKXZXeMM
InChI InChI=1S/C29H25BrO3/c1-19(28(29(20(2)31)21(3)32)24-14-16-25(30)17-15-24)26(22-10-6-4-7-11-22)18-27(33)23-12-8-5-9-13-23/h4-18,31H,1-3H3/b26-18+,28-19+,29-20+
InChIKey ADKLLDCMTJWNKO-CCHQSMTGSA-N
Mol Weight 501.42 g/mol
Molecular Formula C29H25BrO3
Exact Mass 500.098708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Uu8AJl9vlR
Name 3-Acetyl-5-methyl-8-oxo-6,8-diphenyl-4-(4-bromo-phenyl)-cis-2,trans-4,cis-6-octatrien-2-ol
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H25BrO3
InChI InChI=1S/C29H25BrO3/c1-19(28(29(20(2)31)21(3)32)24-14-16-25(30)17-15-24)26(22-10-6-4-7-11-22)18-27(33)23-12-8-5-9-13-23/h4-18,31H,1-3H3/b26-18+,28-19+,29-20+
InChIKey ADKLLDCMTJWNKO-CCHQSMTGSA-N
Instrument Name Bruker HX-90
Literature Reference T. Zimmermann, G.W. Fischer, J. Prakt. Chem. 328, 359 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3