For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(Z)-4-[2-(6-CHLOROPURIN-9-YL)-ETHYLIDENE]-2-METHOXY-3-(4-NITRO)-BENZYLOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
SpectraBase Compound ID 78JAl6nWT0Q
InChI InChI=1S/C19H14ClN5O6/c1-29-16-15(30-8-11-2-4-12(5-3-11)25(27)28)13(31-19(16)26)6-7-24-10-23-14-17(20)21-9-22-18(14)24/h2-6,9-10H,7-8H2,1H3/b13-6-
InChIKey LBGPZAQEZYCCKM-MLPAPPSSSA-N
Mol Weight 443.8 g/mol
Molecular Formula C19H14ClN5O6
Exact Mass 443.063261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID OoKQ5y1PNl
Name (Z)-4-[2-(6-CHLOROPURIN-9-YL)-ETHYLIDENE]-2-METHOXY-3-(4-NITRO)-BENZYLOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14ClN5O6
InChI InChI=1S/C19H14ClN5O6/c1-29-16-15(30-8-11-2-4-12(5-3-11)25(27)28)13(31-19(16)26)6-7-24-10-23-14-17(20)21-9-22-18(14)24/h2-6,9-10H,7-8H2,1H3/b13-6-
InChIKey LBGPZAQEZYCCKM-MLPAPPSSSA-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 443.803 g/mol
Sample ID 44518
Solvent CDCl3