John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CBEj7SHKIRC SpectraBase Spectrum ID=29jfLeMn0KU

(accessed ).
6-BROMO-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 CBEj7SHKIRC
InChI InChI=1S/C30H19BrCl3N5O2/c31-19-10-13-25-21(15-19)30(40)39(16-27-37-38-29(41-27)17-8-11-20(32)12-9-17)26(35-25)14-18-4-1-2-7-24(18)36-28-22(33)5-3-6-23(28)34/h1-13,15,36H,14,16H2
InChIKey SXJRVKSEFPBAPG-UHFFFAOYSA-N
Mol Weight 667.78 g/mol
Molecular Formula C30H19BrCl3N5O2
Exact Mass 664.978769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29jfLeMn0KU
Name 6-BROMO-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 12E
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H19BrCl3N5O2
InChI InChI=1S/C30H19BrCl3N5O2/c31-19-10-13-25-21(15-19)30(40)39(16-27-37-38-29(41-27)17-8-11-20(32)12-9-17)26(35-25)14-18-4-1-2-7-24(18)36-28-22(33)5-3-6-23(28)34/h1-13,15,36H,14,16H2
InChIKey SXJRVKSEFPBAPG-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 667.776 g/mol
Sample ID 3014
Solvent DMSO-D6
SpectraBase Batch ID 9kSDU1AZhta