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3-[[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-METHYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-6-IODO-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]-6-IODO-QUINAZOLIN-4(3H)-ONE
SpectraBase Compound ID LSg6kmfPkSo
InChI InChI=1S/C30H19Cl3IN5O2/c31-19-10-8-17(9-11-19)29-38-37-27(41-29)16-39-26(35-25-13-12-20(34)15-21(25)30(39)40)14-18-4-1-2-7-24(18)36-28-22(32)5-3-6-23(28)33/h1-13,15,36H,14,16H2
InChIKey XKIXXCNJPNFVBP-UHFFFAOYSA-N
Mol Weight 714.78 g/mol
Molecular Formula C30H19Cl3IN5O2
Exact Mass 712.964903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9ghNL9XSbE
Name 3-[[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-METHYL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-6-IODO-QUINAZOLIN-4(3H)-ONE
Compound Number 12F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H19Cl3IN5O2
InChI InChI=1S/C30H19Cl3IN5O2/c31-19-10-8-17(9-11-19)29-38-37-27(41-29)16-39-26(35-25-13-12-20(34)15-21(25)30(39)40)14-18-4-1-2-7-24(18)36-28-22(32)5-3-6-23(28)33/h1-13,15,36H,14,16H2
InChIKey XKIXXCNJPNFVBP-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 714.777 g/mol
Sample ID 3015
Solvent DMSO-D6