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[[5,5-DIOXO-DIBENZO-[B,E]-THIEPIN-11(6H)-YLIDEN-AMINO]-OXY]-(2-IODOPHENYL)-METHANONE
SpectraBase Compound ID 5s33i1aKHd3
InChI InChI=1S/C21H14INO4S/c22-18-11-5-3-9-16(18)21(24)27-23-20-15-8-2-1-7-14(15)13-28(25,26)19-12-6-4-10-17(19)20/h1-12H,13H2/b23-20-
InChIKey CTBKEAWTBONKOL-ATJXCDBQSA-N
Mol Weight 503.31 g/mol
Molecular Formula C21H14INO4S
Exact Mass 502.968824 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBLVycnBTHb
Name [[5,5-DIOXO-DIBENZO-[B,E]-THIEPIN-11(6H)-YLIDEN-AMINO]-OXY]-(2-IODOPHENYL)-METHANONE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H14INO4S
InChI InChI=1S/C21H14INO4S/c22-18-11-5-3-9-16(18)21(24)27-23-20-15-8-2-1-7-14(15)13-28(25,26)19-12-6-4-10-17(19)20/h1-12H,13H2/b23-20-
InChIKey CTBKEAWTBONKOL-ATJXCDBQSA-N
Literature Reference Author C.E.STECOZA,C.ILIE,C.DRAGHICI,M.T.CAPROIU
Literature Reference Citation FARMACIA,61,378(2013)
Molecular Weight 503.311 g/mol
Source File Reference UWLU76196