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3-[4-[5-(2-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-PHENYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
SpectraBase Compound ID 3R2NOQQIZYn
InChI InChI=1S/C35H22Cl3N5O2/c36-26-11-4-2-9-24(26)34-42-41-33(45-34)21-16-18-23(19-17-21)43-31(39-30-15-6-3-10-25(30)35(43)44)20-22-8-1-5-14-29(22)40-32-27(37)12-7-13-28(32)38/h1-19,40H,20H2
InChIKey QCXIPOGTWCSNKX-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 9RykF77lwHo
Name 3-[4-[5-(2-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-PHENYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-QUINAZOLIN-4(3H)-ONE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H22Cl3N5O2
InChI InChI=1S/C35H22Cl3N5O2/c36-26-11-4-2-9-24(26)34-42-41-33(45-34)21-16-18-23(19-17-21)43-31(39-30-15-6-3-10-25(30)35(43)44)20-22-8-1-5-14-29(22)40-32-27(37)12-7-13-28(32)38/h1-19,40H,20H2
InChIKey QCXIPOGTWCSNKX-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 3001
Solvent DMSO-D6