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Pentadecafluorooctanoic acid, cyclohexylmethyl ester

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Pentadecafluorooctanoic acid, cyclohexylmethyl ester
SpectraBase Compound ID BEZxjgW9wcw
InChI InChI=1S/C15H13F15O2/c16-9(17,8(31)32-6-7-4-2-1-3-5-7)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7H,1-6H2
InChIKey QOGLORBQBFFERD-UHFFFAOYSA-N
Mol Weight 510.24 g/mol
Molecular Formula C15H13F15O2
Exact Mass 510.067602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yA6lcalFET
Name Pentadecafluorooctanoic acid, cyclohexylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.067602102 u
Formula C15H13F15O2
InChI InChI=1S/C15H13F15O2/c16-9(17,8(31)32-6-7-4-2-1-3-5-7)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7H,1-6H2
InChIKey QOGLORBQBFFERD-UHFFFAOYSA-N
Molecular Weight 510.243 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCC1CCCCC1)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F