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3-[4-(4-BROMOPHENYL)-BENZOYL]-1,2,3,4-TETRAHYDRO-8-METHYL-2H-PYRIDO-[1,2-A]-PYRIMIDINE-HYDROPERCHLORATE
SpectraBase Compound ID AGpBkTbsKRN
InChI InChI=1S/C22H19BrN2O.ClHO4/c1-15-10-11-25-14-19(13-24-21(25)12-15)22(26)18-4-2-16(3-5-18)17-6-8-20(23)9-7-17;2-1(3,4)5/h2-12,19H,13-14H2,1H3;(H,2,3,4,5)
InChIKey GIGYMMXJSARELS-UHFFFAOYSA-N
Mol Weight 507.77 g/mol
Molecular Formula C22H20BrClN2O5
Exact Mass 506.024412 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xGN2qvQEMR
Name 3-[4-(4-BROMOPHENYL)-BENZOYL]-1,2,3,4-TETRAHYDRO-8-METHYL-2H-PYRIDO-[1,2-A]-PYRIMIDINE-HYDROPERCHLORATE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20BrClN2O5
InChI InChI=1S/C22H19BrN2O.ClHO4/c1-15-10-11-25-14-19(13-24-21(25)12-15)22(26)18-4-2-16(3-5-18)17-6-8-20(23)9-7-17;2-1(3,4)5/h2-12,19H,13-14H2,1H3;(H,2,3,4,5)
InChIKey GIGYMMXJSARELS-UHFFFAOYSA-N
Literature Reference Author U.GIRRESER,U.BLUHM,B.CLEMENT,D.HEBER
Literature Reference Citation MAGN.RES.CHEM.,51,714(2013)
Solvent DMSO-D6
Source File Reference UWIR13235