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1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid

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1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid
SpectraBase Compound ID Ky8wSL242F4
InChI InChI=1S/C17H8F12O3S/c18-13(19,20)11-3-1-2-10(8-11)9-4-6-12(7-5-9)32-33(30,31)17(28,29)15(23,24)14(21,22)16(25,26)27/h1-8H
InChIKey KGGQMZACDVFISG-UHFFFAOYSA-N
Mol Weight 520.29 g/mol
Molecular Formula C17H8F12O3S
Exact Mass 520.000253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LO11mkCBUC3
Name 1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.000253245 u
Formula C17H8F12O3S
InChI InChI=1S/C17H8F12O3S/c18-13(19,20)11-3-1-2-10(8-11)9-4-6-12(7-5-9)32-33(30,31)17(28,29)15(23,24)14(21,22)16(25,26)27/h1-8H
InChIKey KGGQMZACDVFISG-UHFFFAOYSA-N
Molecular Weight 520.289 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(S(OC1=CC=C(C=2C=C(C(F)(F)F)C=CC2)C=C1)(=O)=O)(F)F