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

*Links on SpectraBase are not permalinks.

Adipic acid, isohexyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Adipic acid, isohexyl 3-phenoxybenzyl ester
SpectraBase Compound ID 69wTSG7VlG
InChI InChI=1S/C25H32O5/c1-20(2)10-9-17-28-24(26)15-6-7-16-25(27)29-19-21-11-8-14-23(18-21)30-22-12-4-3-5-13-22/h3-5,8,11-14,18,20H,6-7,9-10,15-17,19H2,1-2H3
InChIKey VLOXDVLDLWWVRQ-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 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 DzAN87ySOry
Name Adipic acid, isohexyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-20(2)10-9-17-28-24(26)15-6-7-16-25(27)29-19-21-11-8-14-23(18-21)30-22-12-4-3-5-13-22/h3-5,8,11-14,18,20H,6-7,9-10,15-17,19H2,1-2H3
InChIKey VLOXDVLDLWWVRQ-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES C(CCC(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC(OCCCC(C)C)=O