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1,1,1-trifluoro-N-[5-methyl-2-phenyl-cyclohex-2-en-1-yl]methanesulfonamide
SpectraBase Compound ID ASdXVTtVBXX
InChI InChI=1S/C14H16F3NO2S/c1-10-7-8-12(11-5-3-2-4-6-11)13(9-10)18-21(19,20)14(15,16)17/h2-6,8,10,13,18H,7,9H2,1H3
InChIKey YJDASPFXKSNIMQ-UHFFFAOYSA-N
Mol Weight 319.34 g/mol
Molecular Formula C14H16F3NO2S
Exact Mass 319.085384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITtAR4vi75C
Name 1,1,1-trifluoro-N-[5-methyl-2-phenyl-cyclohex-2-en-1-yl]methanesulfonamide
Appearance White solid
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Formula C14H16F3NO2S
InChI InChI=1S/C14H16F3NO2S/c1-10-7-8-12(11-5-3-2-4-6-11)13(9-10)18-21(19,20)14(15,16)17/h2-6,8,10,13,18H,7,9H2,1H3
InChIKey YJDASPFXKSNIMQ-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202101329
Molecular Weight 319.342 g/mol
SMILES N(C1C(c2ccccc2)=CCC(C1)C)S(C(F)(F)F)(=O)=O
SPLASH splash10-0ab9-0900000000-a3fd0a22346613165220
Sample Comments major diastereoisomer
Source of Spectrum ASC-364-SM7-3k
Wiley ID 1868608