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

*Links on SpectraBase are not permalinks.
3-[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-6-IODO-QUINAZOLIN-4(3H)-ONE
SpectraBase Compound ID FdtVyvMfMa2
InChI InChI=1S/C29H17Cl3IN5O2/c30-18-10-8-16(9-11-18)27-36-37-29(40-27)38-25(34-24-13-12-19(33)15-20(24)28(38)39)14-17-4-1-2-7-23(17)35-26-21(31)5-3-6-22(26)32/h1-13,15,35H,14H2
InChIKey SQMVBADASKOMFC-UHFFFAOYSA-N
Mol Weight 700.75 g/mol
Molecular Formula C29H17Cl3IN5O2
Exact Mass 698.949253 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 GZqBYrk4nyO
Name 3-[5-(4-CHLORO-PHENYL)-1,3,4-OXADIAZOL-2-YL]-2-[2-[(2,6-DICHLORO-PHENYL)-AMINO]-BENZYL]-6-IODO-QUINAZOLIN-4(3H)-ONE
Compound Number 9F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H17Cl3IN5O2
InChI InChI=1S/C29H17Cl3IN5O2/c30-18-10-8-16(9-11-18)27-36-37-29(40-27)38-25(34-24-13-12-19(33)15-20(24)28(38)39)14-17-4-1-2-7-23(17)35-26-21(31)5-3-6-22(26)32/h1-13,15,35H,14H2
InChIKey SQMVBADASKOMFC-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 700.750 g/mol
Sample ID 3000
Solvent DMSO-D6