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Pentadecafluorooctanoic acid, 8-chlorooctyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, 8-chlorooctyl ester
SpectraBase Compound ID FOEWP12wDbm
InChI InChI=1S/C16H16ClF15O2/c17-7-5-3-1-2-4-6-8-34-9(33)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)32/h1-8H2
InChIKey SJEQZDCUDPWWAO-UHFFFAOYSA-N
Mol Weight 560.73 g/mol
Molecular Formula C16H16ClF15O2
Exact Mass 560.05993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQKqtxE4rlK
Name Pentadecafluorooctanoic acid, 8-chlorooctyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 560.059929898 u
Formula C16H16ClF15O2
InChI InChI=1S/C16H16ClF15O2/c17-7-5-3-1-2-4-6-8-34-9(33)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)32/h1-8H2
InChIKey SJEQZDCUDPWWAO-UHFFFAOYSA-N
Molecular Weight 560.731 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCCCl)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F