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DIBENZO-[B,E]-OXEPIN-11(6H)-ONE-O-(4-IODO-BENZOYL)-OXIME;MAJOR-ISOMER
SpectraBase Compound ID 7IMgyiyPtqC
InChI InChI=1S/C21H14INO3/c22-16-11-9-14(10-12-16)21(24)26-23-20-17-6-2-1-5-15(17)13-25-19-8-4-3-7-18(19)20/h1-12H,13H2/b23-20-
InChIKey VHHKJVKJAWZKMQ-ATJXCDBQSA-N
Mol Weight 455.25 g/mol
Molecular Formula C21H14INO3
Exact Mass 455.001838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Go8NQli7Zrj
Name DIBENZO-[B,E]-OXEPIN-11(6H)-ONE-O-(4-IODO-BENZOYL)-OXIME;MAJOR-ISOMER
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H14INO3
InChI InChI=1S/C21H14INO3/c22-16-11-9-14(10-12-16)21(24)26-23-20-17-6-2-1-5-15(17)13-25-19-8-4-3-7-18(19)20/h1-12H,13H2/b23-20-
InChIKey VHHKJVKJAWZKMQ-ATJXCDBQSA-N
Literature Reference Author B.SADEK,C.LIMBAN,C.E.STECOZA,S.ELZ
Literature Reference Citation SCI.PHARM.,79,749(2011)
Literature Reference DOI 10.3797/scipharm.1107-02
Molecular Weight 455.252 g/mol
Sample ID 3055
Solvent CDCl3