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(Z)-4-[2-(6-CHLOROPURIN-9-YL)-ETHYLIDENE]-2,3-DIMETHOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
SpectraBase Compound ID W7NNj7mgQD
InChI InChI=1S/C13H11ClN4O4/c1-20-9-7(22-13(19)10(9)21-2)3-4-18-6-17-8-11(14)15-5-16-12(8)18/h3,5-6H,4H2,1-2H3/b7-3-
InChIKey UZHRNXUQTBSVKL-CLTKARDFSA-N
Mol Weight 322.71 g/mol
Molecular Formula C13H11ClN4O4
Exact Mass 322.046883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ULPWYw32Dy
Name (Z)-4-[2-(6-CHLOROPURIN-9-YL)-ETHYLIDENE]-2,3-DIMETHOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11ClN4O4
InChI InChI=1S/C13H11ClN4O4/c1-20-9-7(22-13(19)10(9)21-2)3-4-18-6-17-8-11(14)15-5-16-12(8)18/h3,5-6H,4H2,1-2H3/b7-3-
InChIKey UZHRNXUQTBSVKL-CLTKARDFSA-N
Literature Reference Author G.H.HAKIMELAHI,N.W.MEI,A.A.MOOSAVI-MOVAHEDI,H.DAVARI,S.HAKIM ELAHI,K.Y.KING,J.R.H
Literature Reference Citation J.MED.CHEM.,44,1749(2001)
Literature Reference DOI 10.1021/jm0004446
Molecular Weight 322.708 g/mol
Sample ID 44517
Solvent CDCl3