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2-Ethyl-1-hexanol, pentafluoropropionate
SpectraBase Compound ID U5tRPxzWLU
InChI InChI=1S/C11H17F5O2/c1-3-5-6-8(4-2)7-18-9(17)10(12,13)11(14,15)16/h8H,3-7H2,1-2H3
InChIKey RPNHEAYLEQFUFI-UHFFFAOYSA-N
Mol Weight 276.25 g/mol
Molecular Formula C11H17F5O2
Exact Mass 276.114871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZVg6vhEN9t
Name 2-Ethyl-1-hexanol, pentafluoropropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.114870600 u
Formula C11H17F5O2
InChI InChI=1S/C11H17F5O2/c1-3-5-6-8(4-2)7-18-9(17)10(12,13)11(14,15)16/h8H,3-7H2,1-2H3
InChIKey RPNHEAYLEQFUFI-UHFFFAOYSA-N
Molecular Weight 276.247 g/mol
SMILES CCCCC(COC(=O)C(C(F)(F)F)(F)F)CC