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Ethyl-4-(1-((1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methyl)sulfonamido)vinyl)-benzoate
SpectraBase Compound ID D4kr1DU9Kk9
InChI InChI=1S/C13H11F6NO6S2/c1-3-26-11(21)10-6-4-9(5-7-10)8(2)20(27(22,23)12(14,15)16)28(24,25)13(17,18)19/h4-7H,2-3H2,1H3
InChIKey XXNIAPBOQJEBQK-UHFFFAOYSA-N
Mol Weight 455.34 g/mol
Molecular Formula C13H11F6NO6S2
Exact Mass 454.993198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9I1uR80bd3
Name Ethyl-4-(1-((1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methyl)sulfonamido)vinyl)-benzoate
Appearance Bright yellow solid
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Formula C13H11F6NO6S2
InChI InChI=1S/C13H11F6NO6S2/c1-3-26-11(21)10-6-4-9(5-7-10)8(2)20(27(22,23)12(14,15)16)28(24,25)13(17,18)19/h4-7H,2-3H2,1H3
InChIKey XXNIAPBOQJEBQK-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810916
Molecular Weight 455.342 g/mol
Reported Formula C13H11O6N1F6S2
SMILES c1c(ccc(c1)C(=C)N(S(C(F)(F)F)(=O)=O)S(C(F)(F)F)(=O)=O)C(=O)OCC
SPLASH splash10-0229-1918000000-65d95bb5032af28dbdf2
Source of Spectrum ACI-58-SM10-5q
Wiley ID 1848174