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(E)-N-(1-(4-chlorophenyl)oct-1-en-1-yl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide
SpectraBase Compound ID 6QflhkeJ3M3
InChI InChI=1S/C16H18ClF6NO4S2/c1-2-3-4-5-6-7-14(12-8-10-13(17)11-9-12)24(29(25,26)15(18,19)20)30(27,28)16(21,22)23/h7-11H,2-6H2,1H3/b14-7+
InChIKey YIBSLILGVQIPPE-VGOFMYFVSA-N
Mol Weight 501.89 g/mol
Molecular Formula C16H18ClF6NO4S2
Exact Mass 501.026997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjFsyaVb4RR
Name (E)-N-(1-(4-chlorophenyl)oct-1-en-1-yl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide
Appearance Bright yellow liquid
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Formula C16H18ClF6NO4S2
InChI InChI=1S/C16H18ClF6NO4S2/c1-2-3-4-5-6-7-14(12-8-10-13(17)11-9-12)24(29(25,26)15(18,19)20)30(27,28)16(21,22)23/h7-11H,2-6H2,1H3/b14-7+
InChIKey YIBSLILGVQIPPE-VGOFMYFVSA-N
Instrument Name FINNIGAN SSQ
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810916
Molecular Weight 501.886 g/mol
Reported Formula C16H18O4NClF6S2
SMILES C(S(N(\C(=C\CCCCCC)c1ccc(cc1)Cl)S(C(F)(F)F)(=O)=O)(=O)=O)(F)(F)F
SPLASH splash10-0gc0-2965030000-0a966c1d0e902ad0d11a
Source of Spectrum ACI-58-SM12-5y
Wiley ID 1848181