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3-[4-[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-PHENYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
SpectraBase Compound ID DPK7h6p5lXE
InChI InChI=1S/C35H22Cl3N5O2/c36-24-16-12-21(13-17-24)33-41-42-34(45-33)22-14-18-25(19-15-22)43-31(39-30-11-4-2-7-26(30)35(43)44)20-23-6-1-3-10-29(23)40-32-27(37)8-5-9-28(32)38/h1-19,40H,20H2
InChIKey ZDEDLEXWXYGKLR-UHFFFAOYSA-N
Mol Weight 651.0 g/mol
Molecular Formula C35H22Cl3N5O2
Exact Mass 649.083908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXFEHtXnkDI
Name 3-[4-[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-PHENYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H22Cl3N5O2
InChI InChI=1S/C35H22Cl3N5O2/c36-24-16-12-21(13-17-24)33-41-42-34(45-33)22-14-18-25(19-15-22)43-31(39-30-11-4-2-7-26(30)35(43)44)20-23-6-1-3-10-29(23)40-32-27(37)8-5-9-28(32)38/h1-19,40H,20H2
InChIKey ZDEDLEXWXYGKLR-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 650.951 g/mol
Sample ID 3004
Solvent DMSO-D6