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[4-((E)-{(3E)-3-[4-(carboxymethoxy)-3-methoxybenzylidene]-2-oxocyclopentylidene}methyl)-2-methoxyphenoxy]acetic acid

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[4-((E)-{(3E)-3-[4-(carboxymethoxy)-3-methoxybenzylidene]-2-oxocyclopentylidene}methyl)-2-methoxyphenoxy]acetic acid
SpectraBase Compound ID HKsiFtcac6j
InChI InChI=1S/C25H24O9/c1-31-21-11-15(3-7-19(21)33-13-23(26)27)9-17-5-6-18(25(17)30)10-16-4-8-20(22(12-16)32-2)34-14-24(28)29/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,26,27)(H,28,29)/b17-9+,18-10+
InChIKey JVSVCADPZHFSFV-BEQMOXJMSA-N
Mol Weight 468.46 g/mol
Molecular Formula C25H24O9
Exact Mass 468.142032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2G4xm6N9KGs
Name [4-((E)-{(3E)-3-[4-(carboxymethoxy)-3-methoxybenzylidene]-2-oxocyclopentylidene}methyl)-2-methoxyphenoxy]acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.142032344 u
Formula C25H24O9
InChI InChI=1S/C25H24O9/c1-31-21-11-15(3-7-19(21)33-13-23(26)27)9-17-5-6-18(25(17)30)10-16-4-8-20(22(12-16)32-2)34-14-24(28)29/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,26,27)(H,28,29)/b17-9+,18-10+
InChIKey JVSVCADPZHFSFV-BEQMOXJMSA-N
Molecular Weight 468.458 g/mol
SMILES OC(COC=1C(=CC(\C=C\2C(\C(=C\C=3C=CC(OCC(=O)O)=C(C3)OC)CC2)=O)=CC1)OC)=O