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(E)-1,1,1-Trifluoro-N-(1-phenylpent-1-en-1-yl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
SpectraBase Compound ID 3RJ5m0b21mD
InChI InChI=1S/C13H13F6NO4S2/c1-2-3-9-11(10-7-5-4-6-8-10)20(25(21,22)12(14,15)16)26(23,24)13(17,18)19/h4-9H,2-3H2,1H3/b11-9+
InChIKey YGDZHQDAVWFYSI-PKNBQFBNSA-N
Mol Weight 425.36 g/mol
Molecular Formula C13H13F6NO4S2
Exact Mass 425.019019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lhftbw0h4Pn
Name (E)-1,1,1-Trifluoro-N-(1-phenylpent-1-en-1-yl)-N-((trifluoromethyl)sulfonyl)methanesulfonamide
Appearance Bright yellow liquid
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Formula C13H13F6NO4S2
InChI InChI=1S/C13H13F6NO4S2/c1-2-3-9-11(10-7-5-4-6-8-10)20(25(21,22)12(14,15)16)26(23,24)13(17,18)19/h4-9H,2-3H2,1H3/b11-9+
InChIKey YGDZHQDAVWFYSI-PKNBQFBNSA-N
Instrument Name FINNIGAN SSQ
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810916
Molecular Weight 425.360 g/mol
Reported Formula C13H13O4NF6S2
SMILES C(S(N(\C(=C\CCC)c1ccccc1)S(C(F)(F)F)(=O)=O)(=O)=O)(F)(F)F
SPLASH splash10-0006-3930000000-2279fbd9fcdcd9aa5bc4
Source of Spectrum ACI-58-SM10-5t
Wiley ID 1848177