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1,3-bis[3-(2,6-diketo-4-methyl-3H-pyrimidin-1-yl)-2-hydroxy-propyl]-6-methyl-pyrimidine-2,4-quinone
SpectraBase Compound ID 8XJlI0BbL2R
InChI InChI=1S/C21H26N6O8/c1-11-4-16(30)25(19(33)22-11)8-14(28)7-24-13(3)6-18(32)27(21(24)35)10-15(29)9-26-17(31)5-12(2)23-20(26)34/h4-6,14-15,28-29H,7-10H2,1-3H3,(H,22,33)(H,23,34)
InChIKey BNFUXUBOIPRZPO-UHFFFAOYSA-N
Mol Weight 490.47 g/mol
Molecular Formula C21H26N6O8
Exact Mass 490.181212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cd8fJtki6ma
Name 1,3-bis[3-(2,6-diketo-4-methyl-3H-pyrimidin-1-yl)-2-hydroxy-propyl]-6-methyl-pyrimidine-2,4-quinone
Compound Number V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N6O8
InChI InChI=1S/C21H26N6O8/c1-11-4-16(30)25(19(33)22-11)8-14(28)7-24-13(3)6-18(32)27(21(24)35)10-15(29)9-26-17(31)5-12(2)23-20(26)34/h4-6,14-15,28-29H,7-10H2,1-3H3,(H,22,33)(H,23,34)
InChIKey BNFUXUBOIPRZPO-UHFFFAOYSA-N
Literature Reference Author V.P.KRIVONOGOV,G.G.KOZLOVA,E.A.BELAYA,G.A.SIVKOVA,L.V.SPIRIK JIN,I.B.ABDRAKHMANOV
Literature Reference Citation RUSS.J.ORG.CHEM.,40,417(2004)
Literature Reference DOI 10.1023/B:RUJO.0000034982.68023.eb
Molecular Weight 490.473 g/mol
Solvent D2O
Source File Reference UWMZ16796