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CIMPAP;2-[[[(E)-1-[2-[[(1-CARBOXY-2-(1H-5-IMIDAZOLYL)-ETHYL)-IMINO]-METHYL]-PHENYL]-METHYLIDENE]-AMINO]-3-1H-5-IMIDAZOLYL]-PROPANOIC-ACID

View entire compound with spectra: 1 NMR

CIMPAP;2-[[[(E)-1-[2-[[(1-CARBOXY-2-(1H-5-IMIDAZOLYL)-ETHYL)-IMINO]-METHYL]-PHENYL]-METHYLIDENE]-AMINO]-3-1H-5-IMIDAZOLYL]-PROPANOIC-ACID
SpectraBase Compound ID 7RGXn04sDyD
InChI InChI=1S/C20H20N6O4/c27-19(28)17(5-15-9-21-11-25-15)23-7-13-3-1-2-4-14(13)8-24-18(20(29)30)6-16-10-22-12-26-16/h1-4,7-12,17-18H,5-6H2,(H,21,25)(H,22,26)(H,27,28)(H,29,30)/b23-7+,24-8+
InChIKey BCECRHUYKOIHBS-ZPNKGADNSA-N
Mol Weight 408.42 g/mol
Molecular Formula C20H20N6O4
Exact Mass 408.154603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8Hymcodll7
Name CIMPAP;2-[[[(E)-1-[2-[[(1-CARBOXY-2-(1H-5-IMIDAZOLYL)-ETHYL)-IMINO]-METHYL]-PHENYL]-METHYLIDENE]-AMINO]-3-1H-5-IMIDAZOLYL]-PROPANOIC-ACID
Compound Number L2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N6O4
InChI InChI=1S/C20H20N6O4/c27-19(28)17(5-15-9-21-11-25-15)23-7-13-3-1-2-4-14(13)8-24-18(20(29)30)6-16-10-22-12-26-16/h1-4,7-12,17-18H,5-6H2,(H,21,25)(H,22,26)(H,27,28)(H,29,30)/b23-7+,24-8+
InChIKey BCECRHUYKOIHBS-ZPNKGADNSA-N
Literature Reference Author G.BUDIGE,M.R.PUCHAKAYALA,S.R.KINGARA,A.HU,R.VADDE
Literature Reference Citation CHEM.PHARM.BULL.,59,166(2011)
Literature Reference DOI 10.1248/cpb.59.166
Molecular Weight 408.417 g/mol
Sample ID 2670
Solvent DMSO-D6