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6-BROMO-3-[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE

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6-BROMO-3-[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
SpectraBase Compound ID IpcdtQ0HAaD
InChI InChI=1S/C29H17BrCl3N5O2/c30-18-10-13-24-20(15-18)28(39)38(29-37-36-27(40-29)16-8-11-19(31)12-9-16)25(34-24)14-17-4-1-2-7-23(17)35-26-21(32)5-3-6-22(26)33/h1-13,15,35H,14H2
InChIKey JWHKRPOLZXSNCF-UHFFFAOYSA-N
Mol Weight 653.75 g/mol
Molecular Formula C29H17BrCl3N5O2
Exact Mass 650.963121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TF6HmwsIJZ
Name 6-BROMO-3-[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
Compound Number 9E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H17BrCl3N5O2
InChI InChI=1S/C29H17BrCl3N5O2/c30-18-10-13-24-20(15-18)28(39)38(29-37-36-27(40-29)16-8-11-19(31)12-9-16)25(34-24)14-17-4-1-2-7-23(17)35-26-21(32)5-3-6-22(26)33/h1-13,15,35H,14H2
InChIKey JWHKRPOLZXSNCF-UHFFFAOYSA-N
Literature Reference Author N.B.PATEL,J.C.PATEL
Literature Reference Citation SCI.PHARM.,78,171(2010)
Literature Reference DOI 10.3797/scipharm.0912-16
Molecular Weight 653.749 g/mol
Sample ID 2999
Solvent DMSO-D6