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2-{[3,5-bis(Ethoxycarbonyl)anilino]carbonyl}cyclohexanecarboxylic acid

View entire compound with spectra: 2 NMR

2-{[3,5-bis(Ethoxycarbonyl)anilino]carbonyl}cyclohexanecarboxylic acid
SpectraBase Compound ID 4UGbgOpZrcj
InChI InChI=1S/C20H25NO7/c1-3-27-19(25)12-9-13(20(26)28-4-2)11-14(10-12)21-17(22)15-7-5-6-8-16(15)18(23)24/h9-11,15-16H,3-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKey OYLVGIGKUABSTN-UHFFFAOYSA-N
Mol Weight 391.42 g/mol
Molecular Formula C20H25NO7
Exact Mass 391.163102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MerLYAR9L2
Name 2-{[3,5-bis(Ethoxycarbonyl)anilino]carbonyl}cyclohexanecarboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.163102142 u
Formula C20H25NO7
InChI InChI=1S/C20H25NO7/c1-3-27-19(25)12-9-13(20(26)28-4-2)11-14(10-12)21-17(22)15-7-5-6-8-16(15)18(23)24/h9-11,15-16H,3-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKey OYLVGIGKUABSTN-UHFFFAOYSA-N
Molecular Weight 391.420 g/mol
SMILES OC(C1C(C(NC=2C=C(C(=O)OCC)C=C(C2)C(=O)OCC)=O)CCCC1)=O