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

*Links on SpectraBase are not permalinks.

Phthalic acid, octyl 2-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 2-trifluoromethylbenzyl ester
SpectraBase Compound ID 6MqFCLghCIW
InChI InChI=1S/C24H27F3O4/c1-2-3-4-5-6-11-16-30-22(28)19-13-8-9-14-20(19)23(29)31-17-18-12-7-10-15-21(18)24(25,26)27/h7-10,12-15H,2-6,11,16-17H2,1H3
InChIKey FGZGWOYHPATIGC-UHFFFAOYSA-N
Mol Weight 436.47 g/mol
Molecular Formula C24H27F3O4
Exact Mass 436.186144 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 23yiHTjPDGQ
Name Phthalic acid, octyl 2-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.186143834 u
Formula C24H27F3O4
InChI InChI=1S/C24H27F3O4/c1-2-3-4-5-6-11-16-30-22(28)19-13-8-9-14-20(19)23(29)31-17-18-12-7-10-15-21(18)24(25,26)27/h7-10,12-15H,2-6,11,16-17H2,1H3
InChIKey FGZGWOYHPATIGC-UHFFFAOYSA-N
Molecular Weight 436.471 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCCCCCCCC)=O