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6-METHYLENECARBOXYMETHYLPTERIDINE-2,4,7(1H,3H,8H)-TRIONE
SpectraBase Compound ID AW6ANrky7pl
InChI InChI=1S/C9H8N4O5/c1-18-4(14)2-3-7(15)11-6-5(10-3)8(16)13-9(17)12-6/h2H2,1H3,(H3,11,12,13,15,16,17)
InChIKey WVUKJJKAYGAKER-UHFFFAOYSA-N
Mol Weight 252.19 g/mol
Molecular Formula C9H8N4O5
Exact Mass 252.049469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iy0r0aWDVX6
Name 6-METHYLENECARBOXYMETHYLPTERIDINE-2,4,7(1H,3H,8H)-TRIONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4O5
InChI InChI=1S/C9H8N4O5/c1-18-4(14)2-3-7(15)11-6-5(10-3)8(16)13-9(17)12-6/h2H2,1H3,(H3,11,12,13,15,16,17)
InChIKey WVUKJJKAYGAKER-UHFFFAOYSA-N
Literature Reference Author S.MOLINA,J.COBO,A.SANCHEZ,M.NOGUERAS,E.D.CLERCQ
Literature Reference Citation J.HETCYCL.CHEM.,36,435(1999)
Literature Reference DOI 10.1002/jhet.5570360216
Molecular Weight 252.186 g/mol
Solvent DMSO-D6
Source File Reference UWSI24611