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

View entire compound with spectra: 1 NMR

3-[[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-METHYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
SpectraBase Compound ID 96Zwud8vIsm
InChI InChI=1S/C30H20Cl3N5O2/c31-20-14-12-18(13-15-20)29-37-36-27(40-29)17-38-26(34-25-11-4-2-7-21(25)30(38)39)16-19-6-1-3-10-24(19)35-28-22(32)8-5-9-23(28)33/h1-15,35H,16-17H2
InChIKey CSOZEKNEALKLBY-UHFFFAOYSA-N
Mol Weight 588.88 g/mol
Molecular Formula C30H20Cl3N5O2
Exact Mass 587.068258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4r3WpCPMnOI
Name 3-[[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-METHYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H20Cl3N5O2
InChI InChI=1S/C30H20Cl3N5O2/c31-20-14-12-18(13-15-20)29-37-36-27(40-29)17-38-26(34-25-11-4-2-7-21(25)30(38)39)16-19-6-1-3-10-24(19)35-28-22(32)8-5-9-23(28)33/h1-15,35H,16-17H2
InChIKey CSOZEKNEALKLBY-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 588.880 g/mol
Sample ID 3013
Solvent DMSO-D6