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7-METHYL-1-(2-METHYLPHENYL)-PYRIMIDO-[1,2-A]-PURIN-10(3H)-ONE
SpectraBase Compound ID EomEzdlLvWZ
InChI InChI=1S/2C16H13N5O/c2*1-10-7-17-16-19-14-13(15(22)20(16)8-10)21(9-18-14)12-6-4-3-5-11(12)2/h2*3-9H,1-2H3
InChIKey AIQXUOWZGPHTCO-UHFFFAOYSA-N
Mol Weight 582.63 g/mol
Molecular Formula C32H26N10O2
Exact Mass 582.22402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtEhcKi5swl
Name 7-METHYL-1-(2-METHYLPHENYL)-PYRIMIDO-[1,2-A]-PURIN-10(3H)-ONE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H26N10O2
InChI InChI=1S/2C16H13N5O/c2*1-10-7-17-16-19-14-13(15(22)20(16)8-10)21(9-18-14)12-6-4-3-5-11(12)2/h2*3-9H,1-2H3
InChIKey AIQXUOWZGPHTCO-UHFFFAOYSA-N
Literature Reference Author R.KEDER,H.DVORAKOVA,D.DVORAK
Literature Reference Citation EUR.J.ORG.CHEM.,2009,1522(2009)
Literature Reference DOI 10.1002/ejoc.200801002
Molecular Weight 582.624 g/mol
Solvent DMSO-D6
Source File Reference UWIR20885