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E-ISOMER

View entire compound with spectra: 1 NMR

E-ISOMER
SpectraBase Compound ID KEnfVG4IhcU
InChI InChI=1S/C13H16BrN.3CO.Fe/c1-3-4-5-7-13-8-6-9-15(13)11-12(2)10-14;3*1-2;/h10,13H,6,8-9,11H2,1-2H3;;;;/b4-3?,7-5?,12-10+;;;;/t13-;;;;/m0..../s1
InChIKey RDGPZQKZBNNFFF-NPVMYQPCSA-N
Mol Weight 406.06 g/mol
Molecular Formula C16H16BrFeNO3
Exact Mass 404.966292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vOAA1S9cCc
Name (E)-ISOMER
Compound Number 1I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16BrFeNO3
InChI InChI=1S/C13H16BrN.3CO.Fe/c1-3-4-5-7-13-8-6-9-15(13)11-12(2)10-14;3*1-2;/h10,13H,6,8-9,11H2,1-2H3;;;;/b4-3?,7-5?,12-10+;;;;/t13-;;;;/m0..../s1
InChIKey RDGPZQKZBNNFFF-NPVMYQPCSA-N
Literature Reference Author I.WILLIAMS,B.M.KARIUKI,K.REEVES,L.R.COX
Literature Reference Citation ORG.LETTERS,8,4389(2006)
Literature Reference DOI 10.1021/ol061132l
Molecular Weight 406.059 g/mol
Sample ID 58171
Solvent CDCl3