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(E)-1,1,1-Trifluoro-N-(1-phenyloct-1-en-1-yl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
SpectraBase Compound ID 7n7gN4qHvff
InChI InChI=1S/C16H19F6NO4S2/c1-2-3-4-5-9-12-14(13-10-7-6-8-11-13)23(28(24,25)15(17,18)19)29(26,27)16(20,21)22/h6-8,10-12H,2-5,9H2,1H3/b14-12+
InChIKey SWZSMKLKMSXJOC-WYMLVPIESA-N
Mol Weight 467.44 g/mol
Molecular Formula C16H19F6NO4S2
Exact Mass 467.065969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hLgyt1Hq8U
Name (E)-1,1,1-Trifluoro-N-(1-phenyloct-1-en-1-yl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
Appearance Bright yellow liquid
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Formula C16H19F6NO4S2
InChI InChI=1S/C16H19F6NO4S2/c1-2-3-4-5-9-12-14(13-10-7-6-8-11-13)23(28(24,25)15(17,18)19)29(26,27)16(20,21)22/h6-8,10-12H,2-5,9H2,1H3/b14-12+
InChIKey SWZSMKLKMSXJOC-WYMLVPIESA-N
Instrument Name FINNIGAN SSQ
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810916
Molecular Weight 467.441 g/mol
Reported Formula C16H19O4NF6S2
SMILES C(S(N(\C(=C\CCCCCC)c1ccccc1)S(C(F)(F)F)(=O)=O)(=O)=O)(F)(F)F
SPLASH splash10-001i-5923100000-516fb9f821a2f38c96fd
Source of Spectrum ACI-58-SM11-(E)-5w
Wiley ID 1848153