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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2-(2-fluorophenyl)ethyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(2-fluorophenyl)ethyl hexyl ester
SpectraBase Compound ID 75ENeFOWtc3
InChI InChI=1S/C22H25FO4/c1-2-3-4-9-15-26-21(24)18-11-6-7-12-19(18)22(25)27-16-14-17-10-5-8-13-20(17)23/h5-8,10-13H,2-4,9,14-16H2,1H3
InChIKey DVFNWXDZGLEODW-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C22H25FO4
Exact Mass 372.173687 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 8Txs8q7Fid1
Name Phthalic acid, 2-(2-fluorophenyl)ethyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.173687444 u
Formula C22H25FO4
InChI InChI=1S/C22H25FO4/c1-2-3-4-9-15-26-21(24)18-11-6-7-12-19(18)22(25)27-16-14-17-10-5-8-13-20(17)23/h5-8,10-13H,2-4,9,14-16H2,1H3
InChIKey DVFNWXDZGLEODW-UHFFFAOYSA-N
Molecular Weight 372.436 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1F)=O)(OCCCCCC)=O