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[11-(E/Z)-[5,5-DIOXO-DIBENZO-[B,E]-THIEPIN-11(6H)-YLIDEN-AMINO]-OXY]-(3-BROMOPHENYL)-METHANONE;MAJOR/MINOR-DIASTEREOMERS
SpectraBase Compound ID AbaQ6uso8Gf
InChI InChI=1S/2C21H14BrNO4S/c2*22-16-8-5-7-14(12-16)21(24)27-23-20-17-9-2-1-6-15(17)13-28(25,26)19-11-4-3-10-18(19)20/h2*1-12H,13H2/b23-20+;23-20-
InChIKey LENBYEYFIMCMGW-LZAQUVIWSA-N
Mol Weight 912.62 g/mol
Molecular Formula C42H28Br2N2O8S2
Exact Mass 909.965384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRdoMH9aHzH
Name [11-(E/Z)-[5,5-DIOXO-DIBENZO-[B,E]-THIEPIN-11(6H)-YLIDEN-AMINO]-OXY]-(3-BROMOPHENYL)-METHANONE;MAJOR/MINOR-DIASTEREOMERS
Compound Number 4 D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H28Br2N2O8S2
InChI InChI=1S/2C21H14BrNO4S/c2*22-16-8-5-7-14(12-16)21(24)27-23-20-17-9-2-1-6-15(17)13-28(25,26)19-11-4-3-10-18(19)20/h2*1-12H,13H2/b23-20+;23-20-
InChIKey LENBYEYFIMCMGW-LZAQUVIWSA-N
Literature Reference Author C.E.STECOZA,C.ILIE,C.DRAGHICI,M.T.CAPROIU
Literature Reference Citation FARMACIA,61,378(2013)
Molecular Weight 912.621 g/mol
Source File Reference UWLU76195