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7-[(6-AMINO-9H-PURIN-9-YL)-METHYL]-2-METHYL-NAPHTHALENE-1,4-DIONE

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7-[(6-AMINO-9H-PURIN-9-YL)-METHYL]-2-METHYL-NAPHTHALENE-1,4-DIONE
SpectraBase Compound ID 4iQ0IQdTdVO
InChI InChI=1S/C17H13N5O2/c1-9-4-13(23)11-3-2-10(5-12(11)15(9)24)6-22-8-21-14-16(18)19-7-20-17(14)22/h2-5,7-8H,6H2,1H3,(H2,18,19,20)
InChIKey KBCNRRGINXXGRY-UHFFFAOYSA-N
Mol Weight 319.32 g/mol
Molecular Formula C17H13N5O2
Exact Mass 319.106925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fc0v3bCtnYi
Name 7-[(6-AMINO-9H-PURIN-9-YL)-METHYL]-2-METHYL-NAPHTHALENE-1,4-DIONE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13N5O2
InChI InChI=1S/C17H13N5O2/c1-9-4-13(23)11-3-2-10(5-12(11)15(9)24)6-22-8-21-14-16(18)19-7-20-17(14)22/h2-5,7-8H,6H2,1H3,(H2,18,19,20)
InChIKey KBCNRRGINXXGRY-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 319.323 g/mol
Sample ID 2730
Solvent DMSO-D6