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3-METHOXYCARBONYLMETHYLPTERIDINE-2,4(1H,3H)-DIONE
SpectraBase Compound ID 2PoU9eiDsWJ
InChI InChI=1S/C9H8N4O4/c1-17-5(14)4-13-8(15)6-7(12-9(13)16)11-3-2-10-6/h2-3H,4H2,1H3,(H,11,12,16)
InChIKey OWXAQAPBNXTCBV-UHFFFAOYSA-N
Mol Weight 236.19 g/mol
Molecular Formula C9H8N4O4
Exact Mass 236.054555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EtSVAafgNo
Name 3-METHOXYCARBONYLMETHYLPTERIDINE-2,4(1H,3H)-DIONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4O4
InChI InChI=1S/C9H8N4O4/c1-17-5(14)4-13-8(15)6-7(12-9(13)16)11-3-2-10-6/h2-3H,4H2,1H3,(H,11,12,16)
InChIKey OWXAQAPBNXTCBV-UHFFFAOYSA-N
Literature Reference Author T.OKAWA,M.KAWASE,S.EGUCHI,A.KAEHI,M.SHIRO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2277(1998)
Literature Reference DOI 10.1039/a803529f
Molecular Weight 236.187 g/mol
Solvent DMSO-D6