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 octadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester
SpectraBase Compound ID KbxXZSM5fpW
InChI InChI=1S/C30H43F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-40-26(38)24-20-17-18-21-25(24)27(39)41-23-28(31,32)29(33,34)30(35,36)37/h17-18,20-21H,2-16,19,22-23H2,1H3
InChIKey SZISVCLFFYVJMY-UHFFFAOYSA-N
Mol Weight 600.7 g/mol
Molecular Formula C30H43F7O4
Exact Mass 600.304957 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 HJFOMjfSp3u
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.304957002 u
Formula C30H43F7O4
InChI InChI=1S/C30H43F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-40-26(38)24-20-17-18-21-25(24)27(39)41-23-28(31,32)29(33,34)30(35,36)37/h17-18,20-21H,2-16,19,22-23H2,1H3
InChIKey SZISVCLFFYVJMY-UHFFFAOYSA-N
Molecular Weight 600.659 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O