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(Z)-4-(2-CHLOROETHYLIDENE)-2,3-DI-(4-NITRO)-BENZYLOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
SpectraBase Compound ID 1hIcWxxA6mG
InChI InChI=1S/C20H15ClN2O8/c21-10-9-17-18(29-11-13-1-5-15(6-2-13)22(25)26)19(20(24)31-17)30-12-14-3-7-16(8-4-14)23(27)28/h1-9H,10-12H2/b17-9-
InChIKey MGYGIUIJZFUNPQ-MFOYZWKCSA-N
Mol Weight 446.8 g/mol
Molecular Formula C20H15ClN2O8
Exact Mass 446.051693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36xM58SV0Rp
Name (Z)-4-(2-CHLOROETHYLIDENE)-2,3-DI-(4-NITRO)-BENZYLOXY-DELTA(ALPHA,BETA)-BUTENOLIDE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15ClN2O8
InChI InChI=1S/C20H15ClN2O8/c21-10-9-17-18(29-11-13-1-5-15(6-2-13)22(25)26)19(20(24)31-17)30-12-14-3-7-16(8-4-14)23(27)28/h1-9H,10-12H2/b17-9-
InChIKey MGYGIUIJZFUNPQ-MFOYZWKCSA-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 446.801 g/mol
Sample ID 44516
Solvent CDCl3