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N-(Cyano(phenyl)methyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SpectraBase Compound ID 1uWhNeudXnK
InChI InChI=1S/C12H7F9N2O2S/c13-9(14,11(17,18)19)10(15,16)12(20,21)26(24,25)23-8(6-22)7-4-2-1-3-5-7/h1-5,8,23H
InChIKey LKIOUYHEAGBOFU-UHFFFAOYSA-N
Mol Weight 414.25 g/mol
Molecular Formula C12H7F9N2O2S
Exact Mass 414.008452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZIEThseiDw
Name N-(Cyano(phenyl)methyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Appearance Pale yellow oil
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Formula C12H7F9N2O2S
InChI InChI=1S/C12H7F9N2O2S/c13-9(14,11(17,18)19)10(15,16)12(20,21)26(24,25)23-8(6-22)7-4-2-1-3-5-7/h1-5,8,23H
InChIKey LKIOUYHEAGBOFU-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/anie.201905209
Molecular Weight 414.246 g/mol
Reported Formula C12H7F9N2O2S
SMILES N(S(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(=O)=O)C(c1ccccc1)C#N
SPLASH splash10-014i-4900000000-654e0f7eaae49d06ed9b
Source of Spectrum ACI-58-SM20-7n
Wiley ID 1875450