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 pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester
SpectraBase Compound ID JusHrv8q22D
InChI InChI=1S/C17H17F7O4/c1-2-3-6-9-27-13(25)11-7-4-5-8-12(11)14(26)28-10-15(18,19)16(20,21)17(22,23)24/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKey MOJADYZTEIBFCJ-UHFFFAOYSA-N
Mol Weight 418.31 g/mol
Molecular Formula C17H17F7O4
Exact Mass 418.101506 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 EXE3hyYKcV6
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.101506164 u
Formula C17H17F7O4
InChI InChI=1S/C17H17F7O4/c1-2-3-6-9-27-13(25)11-7-4-5-8-12(11)14(26)28-10-15(18,19)16(20,21)17(22,23)24/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKey MOJADYZTEIBFCJ-UHFFFAOYSA-N
Molecular Weight 418.308 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O