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N-(1-(3,5-bis(trifluoromethyl)phenyl)vinyl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide
SpectraBase Compound ID 2I0oEzpMb5S
InChI InChI=1S/C12H5F12NO4S2/c1-5(6-2-7(9(13,14)15)4-8(3-6)10(16,17)18)25(30(26,27)11(19,20)21)31(28,29)12(22,23)24/h2-4H,1H2
InChIKey ZQVINOJAVSIKKG-UHFFFAOYSA-N
Mol Weight 519.28 g/mol
Molecular Formula C12H5F12NO4S2
Exact Mass 518.946838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNYJCkd9CHg
Name N-(1-(3,5-bis(trifluoromethyl)phenyl)vinyl)-1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide
Appearance Bright brown liquid
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Formula C12H5F12NO4S2
InChI InChI=1S/C12H5F12NO4S2/c1-5(6-2-7(9(13,14)15)4-8(3-6)10(16,17)18)25(30(26,27)11(19,20)21)31(28,29)12(22,23)24/h2-4H,1H2
InChIKey ZQVINOJAVSIKKG-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810916
Molecular Weight 519.276 g/mol
SMILES c1(cc(cc(c1)C(=C)N(S(C(F)(F)F)(=O)=O)S(C(F)(F)F)(=O)=O)C(F)(F)F)C(F)(F)F
SPLASH splash10-00kr-5194000000-6ff9aaa79f910e296a92
Source of Spectrum ACI-58-SM9-5n
Wiley ID 1848171