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

*Links on SpectraBase are not permalinks.

Cyclohexanebutanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester

View entire compound with spectra: 1 NMR

Cyclohexanebutanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
SpectraBase Compound ID FNKof2hIuPZ
InChI InChI=1S/C17H20F12O2/c18-12(19)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)9-31-11(30)8-4-7-10-5-2-1-3-6-10/h10,12H,1-9H2
InChIKey IGBGAKACHUVYHP-UHFFFAOYSA-N
Mol Weight 484.33 g/mol
Molecular Formula C17H20F12O2
Exact Mass 484.127168 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 5E9XqE6pMq9
Name Cyclohexanebutanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.127167838 u
Formula C17H20F12O2
InChI InChI=1S/C17H20F12O2/c18-12(19)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)9-31-11(30)8-4-7-10-5-2-1-3-6-10/h10,12H,1-9H2
InChIKey IGBGAKACHUVYHP-UHFFFAOYSA-N
Molecular Weight 484.326 g/mol
SMILES C(C(COC(CCCC1CCCCC1)=O)(F)F)(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F