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2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol, benzenesulfonate

View entire compound with spectra: 4 NMR, and 1 FTIR

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol, benzenesulfonate
SpectraBase Compound ID F2adGjsBWJj
InChI InChI=1S/C15H8F16O3S/c16-8(17)10(20,21)12(24,25)14(28,29)15(30,31)13(26,27)11(22,23)9(18,19)6-34-35(32,33)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey SPEGIFUVVSYECE-UHFFFAOYSA-N
Mol Weight 572.26 g/mol
Molecular Formula C15H8F16O3S
Exact Mass 571.993866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IHBaKdo9z2
Name 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol, benzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 571.993865897 u
Formula C15H8F16O3S
InChI InChI=1S/C15H8F16O3S/c16-8(17)10(20,21)12(24,25)14(28,29)15(30,31)13(26,27)11(22,23)9(18,19)6-34-35(32,33)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey SPEGIFUVVSYECE-UHFFFAOYSA-N
Molecular Weight 572.260 g/mol
SMILES C=1C(=CC=CC1)S(=O)(=O)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F