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

*Links on SpectraBase are not permalinks.

Phthalic acid, decyl 4-trifluoromethoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 4-trifluoromethoxybenzyl ester
SpectraBase Compound ID 2f964OCjohV
InChI InChI=1S/C26H31F3O5/c1-2-3-4-5-6-7-8-11-18-32-24(30)22-12-9-10-13-23(22)25(31)33-19-20-14-16-21(17-15-20)34-26(27,28)29/h9-10,12-17H,2-8,11,18-19H2,1H3
InChIKey ZCJRWHLBNFHPEE-UHFFFAOYSA-N
Mol Weight 480.52 g/mol
Molecular Formula C26H31F3O5
Exact Mass 480.212359 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 Djnx1FEGYL7
Name Phthalic acid, decyl 4-trifluoromethoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.212358582 u
Formula C26H31F3O5
InChI InChI=1S/C26H31F3O5/c1-2-3-4-5-6-7-8-11-18-32-24(30)22-12-9-10-13-23(22)25(31)33-19-20-14-16-21(17-15-20)34-26(27,28)29/h9-10,12-17H,2-8,11,18-19H2,1H3
InChIKey ZCJRWHLBNFHPEE-UHFFFAOYSA-N
Molecular Weight 480.524 g/mol
SMILES C(OC(C1=CC=CC=C1C(OCCCCCCCCCC)=O)=O)C1=CC=C(C=C1)OC(F)(F)F