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6-METHYLENECARBOXYMETHYL-3-METHYL-2-METHYLTHIOPTERIDINE-4,7(3H,8H)-DIONE
SpectraBase Compound ID GgybxWvdMtD
InChI InChI=1S/C11H12N4O4S/c1-15-10(18)7-8(14-11(15)20-3)13-9(17)5(12-7)4-6(16)19-2/h4H2,1-3H3,(H,13,17)
InChIKey BCQDEEIYFRDZQO-UHFFFAOYSA-N
Mol Weight 296.3 g/mol
Molecular Formula C11H12N4O4S
Exact Mass 296.057926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62QP57TBPiT
Name 6-METHYLENECARBOXYMETHYL-3-METHYL-2-METHYLTHIOPTERIDINE-4,7(3H,8H)-DIONE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N4O4S
InChI InChI=1S/C11H12N4O4S/c1-15-10(18)7-8(14-11(15)20-3)13-9(17)5(12-7)4-6(16)19-2/h4H2,1-3H3,(H,13,17)
InChIKey BCQDEEIYFRDZQO-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 296.301 g/mol
Solvent DMSO-D6
Source File Reference UWSI24610