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N-[5-tert-butyl-2-phenyl-cyclohex-2-en-1-yl]-1,1,1-trifluoro-methanesulfonamide
SpectraBase Compound ID JVBZZqAYVyN
InChI InChI=1S/C17H22F3NO2S/c1-16(2,3)13-9-10-14(12-7-5-4-6-8-12)15(11-13)21-24(22,23)17(18,19)20/h4-8,10,13,15,21H,9,11H2,1-3H3
InChIKey DCWMDUOIXYEYRK-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C17H22F3NO2S
Exact Mass 361.132335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgcKVsMY9Oy
Name N-[5-tert-butyl-2-phenyl-cyclohex-2-en-1-yl]-1,1,1-trifluoro-methanesulfonamide
Appearance Colorless crystals
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Formula C17H22F3NO2S
InChI InChI=1S/C17H22F3NO2S/c1-16(2,3)13-9-10-14(12-7-5-4-6-8-12)15(11-13)21-24(22,23)17(18,19)20/h4-8,10,13,15,21H,9,11H2,1-3H3
InChIKey DCWMDUOIXYEYRK-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202101329
Molecular Weight 361.423 g/mol
SMILES N(C1C(c2ccccc2)=CCC(C1)C(C)(C)C)S(C(F)(F)F)(=O)=O
SPLASH splash10-0a4i-5920000000-65846a569d086b9fc39a
Sample Comments first eluting diastereoisomer
Source of Spectrum ASC-364-SM7-3j
Wiley ID 1868606