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7-[(1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
SpectraBase Compound ID 7bOk3HGKbtY
InChI InChI=1S/C18H14N4O4/c1-20-16-14(17(25)21(2)18(20)26)22(9-19-16)8-10-7-13(23)11-5-3-4-6-12(11)15(10)24/h3-7,9H,8H2,1-2H3
InChIKey UCUHNVBGTNRRPI-UHFFFAOYSA-N
Mol Weight 350.33 g/mol
Molecular Formula C18H14N4O4
Exact Mass 350.101505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELmfUDkdgYW
Name 7-[(1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Compound Number 54
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14N4O4
InChI InChI=1S/C18H14N4O4/c1-20-16-14(17(25)21(2)18(20)26)22(9-19-16)8-10-7-13(23)11-5-3-4-6-12(11)15(10)24/h3-7,9H,8H2,1-2H3
InChIKey UCUHNVBGTNRRPI-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 350.334 g/mol
Sample ID 2746
Solvent CDCl3