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1,1,1-Trifluoro-N-(1-(3-methoxyphenyl)vinyl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
SpectraBase Compound ID BfKnBSVSDKt
InChI InChI=1S/C11H9F6NO5S2/c1-7(8-4-3-5-9(6-8)23-2)18(24(19,20)10(12,13)14)25(21,22)11(15,16)17/h3-6H,1H2,2H3
InChIKey NDWVATMWMZXIKE-UHFFFAOYSA-N
Mol Weight 413.31 g/mol
Molecular Formula C11H9F6NO5S2
Exact Mass 412.982634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H60qfFoGFzf
Name 1,1,1-Trifluoro-N-(1-(3-methoxyphenyl)vinyl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
Appearance Brown solid
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Formula C11H9F6NO5S2
InChI InChI=1S/C11H9F6NO5S2/c1-7(8-4-3-5-9(6-8)23-2)18(24(19,20)10(12,13)14)25(21,22)11(15,16)17/h3-6H,1H2,2H3
InChIKey NDWVATMWMZXIKE-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810916
Molecular Weight 413.305 g/mol
Reported Formula C11H9O5NF6S2
SMILES c1(cccc(c1)C(=C)N(S(C(F)(F)F)(=O)=O)S(C(F)(F)F)(=O)=O)OC
SPLASH splash10-03l1-2930600000-c41bccdbcb48e82801f6
Source of Spectrum ACI-58-SM7-5g
Wiley ID 1848165