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

View entire compound with spectra: 1 NMR

Cyclohexanepropanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
SpectraBase Compound ID LDya8nZihry
InChI InChI=1S/C16H18F12O2/c17-11(18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)8-30-10(29)7-6-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKey GUWSIZHWTDVFPA-UHFFFAOYSA-N
Mol Weight 470.3 g/mol
Molecular Formula C16H18F12O2
Exact Mass 470.111518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7frkcKfV1Zf
Name Cyclohexanepropanoic 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 470.111517774 u
Formula C16H18F12O2
InChI InChI=1S/C16H18F12O2/c17-11(18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)8-30-10(29)7-6-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKey GUWSIZHWTDVFPA-UHFFFAOYSA-N
Molecular Weight 470.299 g/mol
SMILES C1(CCC(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)CCCCC1