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

*Links on SpectraBase are not permalinks.

Isophthalic acid, isohexyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, isohexyl 3-phenoxybenzyl ester
SpectraBase Compound ID 1R60PkpXfur
InChI InChI=1S/C27H28O5/c1-20(2)9-8-16-30-26(28)22-11-7-12-23(18-22)27(29)31-19-21-10-6-15-25(17-21)32-24-13-4-3-5-14-24/h3-7,10-15,17-18,20H,8-9,16,19H2,1-2H3
InChIKey WYHDMCIVGHGCLU-UHFFFAOYSA-N
Mol Weight 432.52 g/mol
Molecular Formula C27H28O5
Exact Mass 432.193674 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 6qXNUFpV6ui
Name Isophthalic acid, isohexyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.193673997 u
Formula C27H28O5
InChI InChI=1S/C27H28O5/c1-20(2)9-8-16-30-26(28)22-11-7-12-23(18-22)27(29)31-19-21-10-6-15-25(17-21)32-24-13-4-3-5-14-24/h3-7,10-15,17-18,20H,8-9,16,19H2,1-2H3
InChIKey WYHDMCIVGHGCLU-UHFFFAOYSA-N
Molecular Weight 432.516 g/mol
SMILES C1=C(C=C(C=C1)C(=O)OCCCC(C)C)C(OCC1=CC(=CC=C1)OC1=CC=CC=C1)=O