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(Z)-4-[2-(6-CHLOROPURIN-9-YL)-ETHYLIDENE]-2,3-DI-(4-NITRO)-BENZYLOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
SpectraBase Compound ID 50MGaQbt5vY
InChI InChI=1S/C25H17ClN6O8/c26-23-20-24(28-13-27-23)30(14-29-20)10-9-19-21(38-11-15-1-5-17(6-2-15)31(34)35)22(25(33)40-19)39-12-16-3-7-18(8-4-16)32(36)37/h1-9,13-14H,10-12H2/b19-9-
InChIKey UDKAVQZAAGEEIO-OCKHKDLRSA-N
Mol Weight 564.9 g/mol
Molecular Formula C25H17ClN6O8
Exact Mass 564.079639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpsFoKTz79d
Name (Z)-4-[2-(6-CHLOROPURIN-9-YL)-ETHYLIDENE]-2,3-DI-(4-NITRO)-BENZYLOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H17ClN6O8
InChI InChI=1S/C25H17ClN6O8/c26-23-20-24(28-13-27-23)30(14-29-20)10-9-19-21(38-11-15-1-5-17(6-2-15)31(34)35)22(25(33)40-19)39-12-16-3-7-18(8-4-16)32(36)37/h1-9,13-14H,10-12H2/b19-9-
InChIKey UDKAVQZAAGEEIO-OCKHKDLRSA-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 564.898 g/mol
Sample ID 44520
Solvent CDCl3