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4-bromo-N-[2-[3,5-dibromo-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethyl]benzamide

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4-bromo-N-[2-[3,5-dibromo-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethyl]benzamide
SpectraBase Compound ID HIndyYc4FBM
InChI InChI=1S/C20H18Br3N3O3/c21-15-4-2-14(3-5-15)20(28)26-8-6-13-10-16(22)19(17(23)11-13)29-9-1-7-25-18(27)12-24/h2-5,10-11H,1,6-9H2,(H,25,27)(H,26,28)
InChIKey IRSFAIZPJGHVFL-UHFFFAOYSA-N
Mol Weight 588.09 g/mol
Molecular Formula C20H18Br3N3O3
Exact Mass 584.88983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jm2gZd3cEaN
Name 4-bromo-N-[2-[3,5-dibromo-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethyl]benzamide
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18Br3N3O3
InChI InChI=1S/C20H18Br3N3O3/c21-15-4-2-14(3-5-15)20(28)26-8-6-13-10-16(22)19(17(23)11-13)29-9-1-7-25-18(27)12-24/h2-5,10-11H,1,6-9H2,(H,25,27)(H,26,28)
InChIKey IRSFAIZPJGHVFL-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 588.093 g/mol
Source File Reference MHKO17715