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2-[5-(3-ETHOXY-3-OXOPROPYL)-6-OXO-2-PHENYL-1,6-DIHYDRO-4-PYRIMIDINYL]-BENZOIC-ACID
SpectraBase Compound ID AbRg1GWDfUR
InChI InChI=1S/C22H20N2O5/c1-2-29-18(25)13-12-17-19(15-10-6-7-11-16(15)22(27)28)23-20(24-21(17)26)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,27,28)(H,23,24,26)
InChIKey PQXLZZIDQBRSDB-UHFFFAOYSA-N
Mol Weight 392.41 g/mol
Molecular Formula C22H20N2O5
Exact Mass 392.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrmjXJnNuDf
Name 2-[5-(3-ETHOXY-3-OXOPROPYL)-6-OXO-2-PHENYL-1,6-DIHYDRO-4-PYRIMIDINYL]-BENZOIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N2O5
InChI InChI=1S/C22H20N2O5/c1-2-29-18(25)13-12-17-19(15-10-6-7-11-16(15)22(27)28)23-20(24-21(17)26)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,27,28)(H,23,24,26)
InChIKey PQXLZZIDQBRSDB-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 392.411 g/mol
Solvent DMSO-D6
Source File Reference UWLU21567