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5-FLUORO-1-[(7-METHYL-5,8-DIOXO-5,8-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-PYRIMIDINE-2,4(1H,3H)-DIONE
SpectraBase Compound ID ppY50R2Gen
InChI InChI=1S/2C16H11FN2O4/c2*1-8-4-13(20)10-3-2-9(5-11(10)14(8)21)6-19-7-12(17)15(22)18-16(19)23/h2*2-5,7H,6H2,1H3,(H,18,22,23)
InChIKey IOZSMPDGLAFNRO-UHFFFAOYSA-N
Mol Weight 628.54 g/mol
Molecular Formula C32H22F2N4O8
Exact Mass 628.14057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uh1TfMIDF7
Name 5-FLUORO-1-[(7-METHYL-5,8-DIOXO-5,8-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-PYRIMIDINE-2,4(1H,3H)-DIONE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H22F2N4O8
InChI InChI=1S/2C16H11FN2O4/c2*1-8-4-13(20)10-3-2-9(5-11(10)14(8)21)6-19-7-12(17)15(22)18-16(19)23/h2*2-5,7H,6H2,1H3,(H,18,22,23)
InChIKey IOZSMPDGLAFNRO-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 628.545 g/mol
Sample ID 2733
Solvent DMSO-D6