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1,1,2,2,3,3,4,4,4-Nonafluoro-N-(1-oxo-1-phenylbut-3-yl)butane-1-sulfonamide
SpectraBase Compound ID JQueIRGadXC
InChI InChI=1S/C14H12F9NO3S/c1-8(7-10(25)9-5-3-2-4-6-9)24-28(26,27)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-6,8,24H,7H2,1H3
InChIKey MHBGHGJEURBCJA-UHFFFAOYSA-N
Mol Weight 445.3 g/mol
Molecular Formula C14H12F9NO3S
Exact Mass 445.039418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6A1LyS9UBAd
Name 1,1,2,2,3,3,4,4,4-Nonafluoro-N-(1-oxo-1-phenylbut-3-yl)butane-1-sulfonamide
Appearance Colorless solid
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Formula C14H12F9NO3S
InChI InChI=1S/C14H12F9NO3S/c1-8(7-10(25)9-5-3-2-4-6-9)24-28(26,27)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-6,8,24H,7H2,1H3
InChIKey MHBGHGJEURBCJA-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/anie.201905209
Molecular Weight 445.300 g/mol
Reported Formula C14H12F9NO3S
SMILES N(S(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(=O)=O)C(CC(c1ccccc1)=O)C
SPLASH splash10-06vi-4900000000-86c9e6a497d3f56ae6ff
Source of Spectrum ACI-58-SM17-7i
Thin-Layer Chromatography Rf = 0.50 (hexane/AcOEt, 5:1)
Wiley ID 1875447