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

*Links on SpectraBase are not permalinks.

Pentadecafluorooctanoic acid, octyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, octyl ester
SpectraBase Compound ID 54BBtzHFODF
InChI InChI=1S/C16H17F15O2/c1-2-3-4-5-6-7-8-33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-8H2,1H3
InChIKey VEBKXAIAEQLIIR-UHFFFAOYSA-N
Mol Weight 526.29 g/mol
Molecular Formula C16H17F15O2
Exact Mass 526.098902 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 6U18LnZJhFa
Name Pentadecafluorooctanoic acid, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.098902230 u
Formula C16H17F15O2
InChI InChI=1S/C16H17F15O2/c1-2-3-4-5-6-7-8-33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-8H2,1H3
InChIKey VEBKXAIAEQLIIR-UHFFFAOYSA-N
Molecular Weight 526.286 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F