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3-[4-(4-CHLOROBENZYLOXY)-BENZOYL]-1,2,3,4-TETRAHYDRO-8-METHYL-2H-PYRIDO-[1,2-A]-PYRIMIDINE-HYDROPERCHLORATE
SpectraBase Compound ID Ecm0EREQ4S4
InChI InChI=1S/C23H21ClN2O2.ClHO4/c1-16-10-11-26-14-19(13-25-22(26)12-16)23(27)18-4-8-21(9-5-18)28-15-17-2-6-20(24)7-3-17;2-1(3,4)5/h2-12,19H,13-15H2,1H3;(H,2,3,4,5)
InChIKey IAOXNEIZLXBXIX-UHFFFAOYSA-N
Mol Weight 493.34 g/mol
Molecular Formula C23H22Cl2N2O6
Exact Mass 492.085492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zo21zRvSaa
Name 3-[4-(4-CHLOROBENZYLOXY)-BENZOYL]-1,2,3,4-TETRAHYDRO-8-METHYL-2H-PYRIDO-[1,2-A]-PYRIMIDINE-HYDROPERCHLORATE
Compound Number 6O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22Cl2N2O6
InChI InChI=1S/C23H21ClN2O2.ClHO4/c1-16-10-11-26-14-19(13-25-22(26)12-16)23(27)18-4-8-21(9-5-18)28-15-17-2-6-20(24)7-3-17;2-1(3,4)5/h2-12,19H,13-15H2,1H3;(H,2,3,4,5)
InChIKey IAOXNEIZLXBXIX-UHFFFAOYSA-N
Literature Reference Author U.GIRRESER,U.BLUHM,B.CLEMENT,D.HEBER
Literature Reference Citation MAGN.RES.CHEM.,51,714(2013)
Molecular Weight 493.343 g/mol
Solvent DMSO-D6
Source File Reference UWIR13244