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(E)-1,1,1-Trifluoro-N-(1-phenylbut-1-en-1-yl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
SpectraBase Compound ID 9u0LlfyEoHE
InChI InChI=1S/C12H11F6NO4S2/c1-2-6-10(9-7-4-3-5-8-9)19(24(20,21)11(13,14)15)25(22,23)12(16,17)18/h3-8H,2H2,1H3/b10-6+
InChIKey BRBAJBOQBZYWNG-UXBLZVDNSA-N
Mol Weight 411.33 g/mol
Molecular Formula C12H11F6NO4S2
Exact Mass 411.003369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHwcY39tUXo
Name (E)-1,1,1-Trifluoro-N-(1-phenylbut-1-en-1-yl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
Appearance Bright yellow liquid
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Formula C12H11F6NO4S2
InChI InChI=1S/C12H11F6NO4S2/c1-2-6-10(9-7-4-3-5-8-9)19(24(20,21)11(13,14)15)25(22,23)12(16,17)18/h3-8H,2H2,1H3/b10-6+
InChIKey BRBAJBOQBZYWNG-UXBLZVDNSA-N
Instrument Name FINNIGAN SSQ
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810916
Molecular Weight 411.333 g/mol
Reported Formula C12H11O4NF6S2
SMILES C(S(N(\C(=C\CC)c1ccccc1)S(C(F)(F)F)(=O)=O)(=O)=O)(F)(F)F
SPLASH splash10-014i-9000000000-7d4394335935ea319e9c
Source of Spectrum ACI-58-SM10-5s
Wiley ID 1848176