For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-[[5-(2-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-(2-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 9sftQ4c90NG
InChI InChI=1S/C30H19Cl3IN5O2/c31-21-8-3-2-7-19(21)29-38-37-27(41-29)16-39-26(35-25-13-12-18(34)15-20(25)30(39)40)14-17-6-1-4-11-24(17)36-28-22(32)9-5-10-23(28)33/h1-13,15,36H,14,16H2
InChIKey NWDVZILGEAVMCR-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5LxAkpCPzJI
Name 3-[[5-(2-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 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H19Cl3IN5O2
InChI InChI=1S/C30H19Cl3IN5O2/c31-21-8-3-2-7-19(21)29-38-37-27(41-29)16-39-26(35-25-13-12-18(34)15-20(25)30(39)40)14-17-6-1-4-11-24(17)36-28-22(32)9-5-10-23(28)33/h1-13,15,36H,14,16H2
InChIKey NWDVZILGEAVMCR-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 3012
Solvent DMSO-D6