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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 1zh5vzeNlMa
InChI InChI=1S/C11H4F12O6S2/c12-7(13,9(16,17)18)8(14,15)10(19,20)30(24,25)28-5-1-3-6(4-2-5)29-31(26,27)11(21,22)23/h1-4H
InChIKey CMSCLNBGSRAWLS-UHFFFAOYSA-N
Mol Weight 524.25 g/mol
Molecular Formula C11H4F12O6S2
Exact Mass 523.925768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnAkSIl9TBU
Name 1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid
Comments Computed using HOSE algorithm
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Exact Mass 523.925768147 u
Formula C11H4F12O6S2
InChI InChI=1S/C11H4F12O6S2/c12-7(13,9(16,17)18)8(14,15)10(19,20)30(24,25)28-5-1-3-6(4-2-5)29-31(26,27)11(21,22)23/h1-4H
InChIKey CMSCLNBGSRAWLS-UHFFFAOYSA-N
Molecular Weight 524.248 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(S(OC1=CC=C(OS(C(F)(F)F)(=O)=O)C=C1)(=O)=O)(F)F