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(Z)-4-[2-(ADENIN-9-YL)-ETHYLIDENE]-2,3-DIMETHOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
SpectraBase Compound ID KdsitUcyInX
InChI InChI=1S/C13H13N5O4/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,(H2,14,15,16)/b7-3-
InChIKey ANFMZVNWHAVWQN-CLTKARDFSA-N
Mol Weight 303.28 g/mol
Molecular Formula C13H13N5O4
Exact Mass 303.096754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hxi6ircSDWK
Name (Z)-4-[2-(ADENIN-9-YL)-ETHYLIDENE]-2,3-DIMETHOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N5O4
InChI InChI=1S/C13H13N5O4/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,(H2,14,15,16)/b7-3-
InChIKey ANFMZVNWHAVWQN-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 303.277 g/mol
Sample ID 44523
Solvent DMSO-D6