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N-[(4-fluorophenyl)-(6-ketocyclohexen-1-yl)methyl]-4-methyl-benzenesulfonamide
SpectraBase Compound ID IrHUFDaRePu
InChI InChI=1S/C20H20FNO3S/c1-14-6-12-17(13-7-14)26(24,25)22-20(15-8-10-16(21)11-9-15)18-4-2-3-5-19(18)23/h4,6-13,20,22H,2-3,5H2,1H3
InChIKey OWMINMRGOLZCSN-UHFFFAOYSA-N
Mol Weight 373.44 g/mol
Molecular Formula C20H20FNO3S
Exact Mass 373.114793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FemKlmr3EZ5
Name N-[(4-fluorophenyl)-(6-ketocyclohexen-1-yl)methyl]-4-methyl-benzenesulfonamide
Alternate Name(s) N-[(4-fluorophenyl)-(6-oxidanylidenecyclohexen-1-yl)methyl]-4-methyl-benzenesulfonamide N-[(4-fluorophenyl)-(6-oxo-1-cyclohexenyl)methyl]-4-methylbenzenesulfonamide N-[(4-fluorophenyl)-(6-oxocyclohexen-1-yl)methyl]-4-methyl-benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C20H20FNO3S
InChI InChI=1S/C20H20FNO3S/c1-14-6-12-17(13-7-14)26(24,25)22-20(15-8-10-16(21)11-9-15)18-4-2-3-5-19(18)23/h4,6-13,20,22H,2-3,5H2,1H3
InChIKey OWMINMRGOLZCSN-UHFFFAOYSA-N
Molecular Weight 373.442 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C=1C(=O)CCCC1)c1ccc(cc1)F
SPLASH splash10-014i-0090000000-1ccbe47997e45a8e728a
Source of Spectrum KD-2001-1876-1
Wiley ID 1519816