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ETHYL-7-HYDROXY-4-OXO-2-PHENYL-4,5-DIHYDRO-3H-BENZO-[6,7]-CYCLOHEPTA-[1,2-D]-PYRIMIDINE-6-CARBOXYLATE
SpectraBase Compound ID FzhlvQxZF7p
InChI InChI=1S/C22H18N2O4/c1-2-28-22(27)17-12-16-18(14-10-6-7-11-15(14)19(17)25)23-20(24-21(16)26)13-8-4-3-5-9-13/h3-11,25H,2,12H2,1H3,(H,23,24,26)
InChIKey IYMADKUUOZKNMQ-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C22H18N2O4
Exact Mass 374.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TLBmCd38Os
Name ETHYL-7-HYDROXY-4-OXO-2-PHENYL-4,5-DIHYDRO-3H-BENZO-[6,7]-CYCLOHEPTA-[1,2-D]-PYRIMIDINE-6-CARBOXYLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18N2O4
InChI InChI=1S/C22H18N2O4/c1-2-28-22(27)17-12-16-18(14-10-6-7-11-15(14)19(17)25)23-20(24-21(16)26)13-8-4-3-5-9-13/h3-11,25H,2,12H2,1H3,(H,23,24,26)
InChIKey IYMADKUUOZKNMQ-UHFFFAOYSA-N
Literature Reference Author N.MULLER,R.GRANET,L.LEPAGE,P.KRAUSZ,J.P.KRAUSZ,J.P.LAVAL
Literature Reference Citation J.HETCYCL.CHEM.,38,1447(2001)
Literature Reference DOI 10.1002/jhet.5570380630
Molecular Weight 374.396 g/mol
Solvent DMSO-D6
Source File Reference UWLU21571