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3-[4-(4-CYANOBENZYLOXY)-BENZOYL]-1,2,3,4-TETRAHYDRO-8-METHYL-2H-PYRIDO-[1,2-A]-PYRIMIDINE-HYDROPERCHLORATE
SpectraBase Compound ID 2h2BdcQRqx1
InChI InChI=1S/C24H21N3O2.ClHO4/c1-17-10-11-27-15-21(14-26-23(27)12-17)24(28)20-6-8-22(9-7-20)29-16-19-4-2-18(13-25)3-5-19;2-1(3,4)5/h2-12,21H,14-16H2,1H3;(H,2,3,4,5)
InChIKey WPTSXYPXJHCGCH-UHFFFAOYSA-N
Mol Weight 483.91 g/mol
Molecular Formula C24H22ClN3O6
Exact Mass 483.119713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7uUk8w7ehLY
Name 3-[4-(4-CYANOBENZYLOXY)-BENZOYL]-1,2,3,4-TETRAHYDRO-8-METHYL-2H-PYRIDO-[1,2-A]-PYRIMIDINE-HYDROPERCHLORATE
Compound Number 6N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22ClN3O6
InChI InChI=1S/C24H21N3O2.ClHO4/c1-17-10-11-27-15-21(14-26-23(27)12-17)24(28)20-6-8-22(9-7-20)29-16-19-4-2-18(13-25)3-5-19;2-1(3,4)5/h2-12,21H,14-16H2,1H3;(H,2,3,4,5)
InChIKey WPTSXYPXJHCGCH-UHFFFAOYSA-N
Literature Reference Author U.GIRRESER,U.BLUHM,B.CLEMENT,D.HEBER
Literature Reference Citation MAGN.RES.CHEM.,51,714(2013)
Molecular Weight 483.908 g/mol
Solvent DMSO-D6
Source File Reference UWIR13243