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

*Links on SpectraBase are not permalinks.

Phthalic acid, tridecyl 2,4,5-trifluorobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, tridecyl 2,4,5-trifluorobenzyl ester
SpectraBase Compound ID IlOTrKh3d2o
InChI InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-34-27(32)22-15-12-13-16-23(22)28(33)35-20-21-18-25(30)26(31)19-24(21)29/h12-13,15-16,18-19H,2-11,14,17,20H2,1H3
InChIKey GMMQMBSUEYATKJ-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H35F3O4
Exact Mass 492.248744 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 3L1ozVYe8Pe
Name Phthalic acid, tridecyl 2,4,5-trifluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.248744092 u
Formula C28H35F3O4
InChI InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-34-27(32)22-15-12-13-16-23(22)28(33)35-20-21-18-25(30)26(31)19-24(21)29/h12-13,15-16,18-19H,2-11,14,17,20H2,1H3
InChIKey GMMQMBSUEYATKJ-UHFFFAOYSA-N
Molecular Weight 492.579 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCC)=O)C(OCC1=C(C=C(C(=C1)F)F)F)=O