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

*Links on SpectraBase are not permalinks.

Cyclohexaneacetic acid, .alpha.-ethyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester

View entire compound with spectra: 1 NMR

Cyclohexaneacetic acid, .alpha.-ethyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
SpectraBase Compound ID DnomHvDDTll
InChI InChI=1S/C17H20F12O2/c1-2-10(9-6-4-3-5-7-9)11(30)31-8-13(20,21)15(24,25)17(28,29)16(26,27)14(22,23)12(18)19/h9-10,12H,2-8H2,1H3
InChIKey ZSAUBAFWITZKQP-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 3Wh5cUVWzI4
Name Cyclohexaneacetic acid, .alpha.-ethyl-, 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/c1-2-10(9-6-4-3-5-7-9)11(30)31-8-13(20,21)15(24,25)17(28,29)16(26,27)14(22,23)12(18)19/h9-10,12H,2-8H2,1H3
InChIKey ZSAUBAFWITZKQP-UHFFFAOYSA-N
Molecular Weight 484.326 g/mol
SMILES C(C(COC(C(C1CCCCC1)CC)=O)(F)F)(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F