For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Adipic acid, 4-biphenyl isobutyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 4-biphenyl isobutyl ester
SpectraBase Compound ID IfCFyZBfV9A
InChI InChI=1S/C22H26O4/c1-17(2)16-25-21(23)10-6-7-11-22(24)26-20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-5,8-9,12-15,17H,6-7,10-11,16H2,1-2H3
InChIKey JVJMQLBSUNZDIJ-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3CpY4It0DiK
Name Adipic acid, 4-biphenyl isobutyl ester
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/c1-17(2)16-25-21(23)10-6-7-11-22(24)26-20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-5,8-9,12-15,17H,6-7,10-11,16H2,1-2H3
InChIKey JVJMQLBSUNZDIJ-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C(CCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC(OCC(C)C)=O