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 undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester
SpectraBase Compound ID 9yT7Jlj8uBx
InChI InChI=1S/C23H29F7O4/c1-2-3-4-5-6-7-8-9-12-15-33-19(31)17-13-10-11-14-18(17)20(32)34-16-21(24,25)22(26,27)23(28,29)30/h10-11,13-14H,2-9,12,15-16H2,1H3
InChIKey RSIZNCDJZGTHRS-UHFFFAOYSA-N
Mol Weight 502.47 g/mol
Molecular Formula C23H29F7O4
Exact Mass 502.195407 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 HeQu4S3K1lC
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.195406551 u
Formula C23H29F7O4
InChI InChI=1S/C23H29F7O4/c1-2-3-4-5-6-7-8-9-12-15-33-19(31)17-13-10-11-14-18(17)20(32)34-16-21(24,25)22(26,27)23(28,29)30/h10-11,13-14H,2-9,12,15-16H2,1H3
InChIKey RSIZNCDJZGTHRS-UHFFFAOYSA-N
Molecular Weight 502.470 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O