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(E)-1,1,1-Trifluoro-N-(1-phenylhept-1-en-1-yl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
SpectraBase Compound ID 9TXmH3zgIdl
InChI InChI=1S/C15H17F6NO4S2/c1-2-3-4-8-11-13(12-9-6-5-7-10-12)22(27(23,24)14(16,17)18)28(25,26)15(19,20)21/h5-7,9-11H,2-4,8H2,1H3/b13-11+
InChIKey MBZRRFXQXKGTOW-ACCUITESSA-N
Mol Weight 453.41 g/mol
Molecular Formula C15H17F6NO4S2
Exact Mass 453.050319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eYp514JocH
Name (E)-1,1,1-Trifluoro-N-(1-phenylhept-1-en-1-yl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
Appearance Bright yellow liquid
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Formula C15H17F6NO4S2
InChI InChI=1S/C15H17F6NO4S2/c1-2-3-4-8-11-13(12-9-6-5-7-10-12)22(27(23,24)14(16,17)18)28(25,26)15(19,20)21/h5-7,9-11H,2-4,8H2,1H3/b13-11+
InChIKey MBZRRFXQXKGTOW-ACCUITESSA-N
Instrument Name FINNIGAN SSQ
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810916
Molecular Weight 453.414 g/mol
Reported Formula C15H17O4NF6S2
SMILES C(S(N(\C(=C\CCCCC)c1ccccc1)S(C(F)(F)F)(=O)=O)(=O)=O)(F)(F)F
SPLASH splash10-014i-9100000000-2a2ffb463e60078afaad
Source of Spectrum ACI-58-SM11-5v
Wiley ID 1848179