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[4-((E)-{(3Z)-3-[4-(carboxymethoxy)-3-chloro-5-ethoxybenzylidene]-2-oxocyclohexylidene}methyl)-2-chloro-6-ethoxyphenoxy]acetic acid
SpectraBase Compound ID BpXOT9V9jeV
InChI InChI=1S/C28H28Cl2O9/c1-3-36-22-12-16(10-20(29)27(22)38-14-24(31)32)8-18-6-5-7-19(26(18)35)9-17-11-21(30)28(39-15-25(33)34)23(13-17)37-4-2/h8-13H,3-7,14-15H2,1-2H3,(H,31,32)(H,33,34)/b18-8-,19-9+
InChIKey ZKQGVGIMRFHRDE-NCEWWTOFSA-N
Mol Weight 579.43 g/mol
Molecular Formula C28H28Cl2O9
Exact Mass 578.111038 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B5YKjrw6piV
Name [4-((E)-{(3Z)-3-[4-(carboxymethoxy)-3-chloro-5-ethoxybenzylidene]-2-oxocyclohexylidene}methyl)-2-chloro-6-ethoxyphenoxy]acetic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H28Cl2O9/c1-3-36-22-12-16(10-20(29)27(22)38-14-24(31)32)8-18-6-5-7-19(26(18)35)9-17-11-21(30)28(39-15-25(33)34)23(13-17)37-4-2/h8-13H,3-7,14-15H2,1-2H3,(H,31,32)(H,33,34)/b18-8-,19-9+
InChIKey ZKQGVGIMRFHRDE-NCEWWTOFSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17182
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9042788; UBI_ID: UBI-017185
Synonyms [4-({3-[4-(carboxymethoxy)-3-chloro-5-ethoxybenzylidene]-2-oxocyclohexylidene}methyl)-2-chloro-6-ethoxyphenoxy]acetic acid
Temperature 303 °C