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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]-6-IODO-QUINAZOLIN-4(3H)-ONE

View entire compound with spectra: 1 NMR

3-[4-[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-PHENYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-6-IODO-QUINAZOLIN-4(3H)-ONE
SpectraBase Compound ID EJerb854aIc
InChI InChI=1S/C35H21Cl3IN5O2/c36-23-12-8-20(9-13-23)33-42-43-34(46-33)21-10-15-25(16-11-21)44-31(40-30-17-14-24(39)19-26(30)35(44)45)18-22-4-1-2-7-29(22)41-32-27(37)5-3-6-28(32)38/h1-17,19,41H,18H2
InChIKey TUCYZVDWZAXTNR-UHFFFAOYSA-N
Mol Weight 776.8 g/mol
Molecular Formula C35H21Cl3IN5O2
Exact Mass 774.980553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1iQrxqZlPl
Name 3-[4-[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-PHENYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-6-IODO-QUINAZOLIN-4(3H)-ONE
Compound Number 10F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H21Cl3IN5O2
InChI InChI=1S/C35H21Cl3IN5O2/c36-23-12-8-20(9-13-23)33-42-43-34(46-33)21-10-15-25(16-11-21)44-31(40-30-17-14-24(39)19-26(30)35(44)45)18-22-4-1-2-7-29(22)41-32-27(37)5-3-6-28(32)38/h1-17,19,41H,18H2
InChIKey TUCYZVDWZAXTNR-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 776.848 g/mol
Sample ID 3006
Solvent DMSO-D6