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1-[(1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-5-METHYL-PYRIMIDINE-2,4(1H,3H)-DIONE
SpectraBase Compound ID KOtq0ETif2P
InChI InChI=1S/C16H12N2O4/c1-9-7-18(16(22)17-15(9)21)8-10-6-13(19)11-4-2-3-5-12(11)14(10)20/h2-7H,8H2,1H3,(H,17,21,22)
InChIKey MIFATAXHUSMTLP-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C16H12N2O4
Exact Mass 296.079707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRSllZiy1jz
Name 1-[(1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-5-METHYL-PYRIMIDINE-2,4(1H,3H)-DIONE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12N2O4
InChI InChI=1S/C16H12N2O4/c1-9-7-18(16(22)17-15(9)21)8-10-6-13(19)11-4-2-3-5-12(11)14(10)20/h2-7H,8H2,1H3,(H,17,21,22)
InChIKey MIFATAXHUSMTLP-UHFFFAOYSA-N
Literature Reference Author X.R.CUI,R.SAITO,T.KUBO,D.KON,Y.HIRANO,S.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,59,302(2011)
Literature Reference DOI 10.1248/cpb.59.302
Molecular Weight 296.282 g/mol
Sample ID 2727
Solvent CDCl3