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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester
SpectraBase Compound ID C2KEVsVrU54
InChI InChI=1S/C26H35F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-36-22(34)20-16-13-14-17-21(20)23(35)37-19-24(27,28)25(29,30)26(31,32)33/h13-14,16-17H,2-12,15,18-19H2,1H3
InChIKey JKEKMZDDZOCJET-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C26H35F7O4
Exact Mass 544.242357 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 8MLitCHWNr0
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.242356744 u
Formula C26H35F7O4
InChI InChI=1S/C26H35F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-36-22(34)20-16-13-14-17-21(20)23(35)37-19-24(27,28)25(29,30)26(31,32)33/h13-14,16-17H,2-12,15,18-19H2,1H3
InChIKey JKEKMZDDZOCJET-UHFFFAOYSA-N
Molecular Weight 544.551 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O