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Fumaric acid, isohexyl 2-phenylphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, isohexyl 2-phenylphenyl ester
SpectraBase Compound ID 5R3hgozAv84
InChI InChI=1S/C22H24O4/c1-17(2)9-8-16-25-21(23)14-15-22(24)26-20-13-7-6-12-19(20)18-10-4-3-5-11-18/h3-7,10-15,17H,8-9,16H2,1-2H3/b15-14+
InChIKey LWUVIQWDGOGRMH-CCEZHUSRSA-N
Mol Weight 352.43 g/mol
Molecular Formula C22H24O4
Exact Mass 352.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClJE9f2KXHw
Name Fumaric acid, isohexyl 2-phenylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.167459249 u
Formula C22H24O4
InChI InChI=1S/C22H24O4/c1-17(2)9-8-16-25-21(23)14-15-22(24)26-20-13-7-6-12-19(20)18-10-4-3-5-11-18/h3-7,10-15,17H,8-9,16H2,1-2H3/b15-14+
InChIKey LWUVIQWDGOGRMH-CCEZHUSRSA-N
Molecular Weight 352.430 g/mol
SMILES CC(C)CCCOC(\C=C\C(OC1=CC=CC=C1C1=CC=CC=C1)=O)=O