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4-(4-{2-[4-(3-Carboxypropyl)phenyl]ethyl}phenyl)butanoic acid

View entire compound with spectra: 2 NMR

4-(4-{2-[4-(3-Carboxypropyl)phenyl]ethyl}phenyl)butanoic acid
SpectraBase Compound ID 85xaHDqCTLl
InChI InChI=1S/C22H26O4/c23-21(24)5-1-3-17-7-11-19(12-8-17)15-16-20-13-9-18(10-14-20)4-2-6-22(25)26/h7-14H,1-6,15-16H2,(H,23,24)(H,25,26)
InChIKey ANIUIDDLEKCGFI-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jbJrTjWZ8B
Name 4-(4-{2-[4-(3-Carboxypropyl)phenyl]ethyl}phenyl)butanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c23-21(24)5-1-3-17-7-11-19(12-8-17)15-16-20-13-9-18(10-14-20)4-2-6-22(25)26/h7-14H,1-6,15-16H2,(H,23,24)(H,25,26)
InChIKey ANIUIDDLEKCGFI-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES OC(CCCC=1C=CC(CCC2=CC=C(CCCC(=O)O)C=C2)=CC1)=O