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

*Links on SpectraBase are not permalinks.

Phthalic acid, tridecyl 2-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, tridecyl 2-trifluoromethylbenzyl ester
SpectraBase Compound ID 98tn5Oi8JEZ
InChI InChI=1S/C29H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-16-21-35-27(33)24-18-13-14-19-25(24)28(34)36-22-23-17-12-15-20-26(23)29(30,31)32/h12-15,17-20H,2-11,16,21-22H2,1H3
InChIKey FACKADYFSYIGSG-UHFFFAOYSA-N
Mol Weight 506.6 g/mol
Molecular Formula C29H37F3O4
Exact Mass 506.264394 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 49M068Y8Lub
Name Phthalic acid, tridecyl 2-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.264394156 u
Formula C29H37F3O4
InChI InChI=1S/C29H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-16-21-35-27(33)24-18-13-14-19-25(24)28(34)36-22-23-17-12-15-20-26(23)29(30,31)32/h12-15,17-20H,2-11,16,21-22H2,1H3
InChIKey FACKADYFSYIGSG-UHFFFAOYSA-N
Molecular Weight 506.606 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCCCCCCCCCCCCC)=O