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1-(3'-CARBONYLBUTYL)-PURINE-6,8-DIONE

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1-(3'-CARBONYLBUTYL)-PURINE-6,8-DIONE
SpectraBase Compound ID 730U1b375Yb
InChI InChI=1S/C9H10N4O3/c1-5(14)2-3-13-4-10-7-6(8(13)15)11-9(16)12-7/h4H,2-3H2,1H3,(H2,11,12,16)
InChIKey PMNDTYDFQFLPGU-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C9H10N4O3
Exact Mass 222.07529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITxa9B4DWxm
Name 7,9-DIHYDRO-1-(3-OXOBUTYL)-1H-PURINE-6,8-DIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10N4O3
InChI InChI=1S/C9H10N4O3/c1-5(14)2-3-13-4-10-7-6(8(13)15)11-9(16)12-7/h4H,2-3H2,1H3,(H2,11,12,16)
InChIKey PMNDTYDFQFLPGU-UHFFFAOYSA-N
Literature Reference Author S.H.QI,S.ZHANG,C.H.GAO,Q.X.LI
Literature Reference Citation CHEM.PHARM.BULL.,56,993(2008)
Literature Reference DOI 10.1248/cpb.56.993
Molecular Weight 222.203 g/mol
Sample ID 1880
Solvent C5D5N