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N-[(4-methoxyphenyl)-(6-oxidanylidenecyclohexen-1-yl)methyl]-4-methyl-benzenesulfonamide
SpectraBase Compound ID EaM8HMzc7Fz
InChI InChI=1S/C21H23NO4S/c1-15-7-13-18(14-8-15)27(24,25)22-21(19-5-3-4-6-20(19)23)16-9-11-17(26-2)12-10-16/h5,7-14,21-22H,3-4,6H2,1-2H3
InChIKey KAZJMFCYWCGMSI-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C21H23NO4S
Exact Mass 385.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4r0U4bphVas
Name N-[(4-methoxyphenyl)-(6-oxidanylidenecyclohexen-1-yl)methyl]-4-methyl-benzenesulfonamide
Alternate Name(s) N-[(4-methoxyphenyl)-(6-oxo-1-cyclohexenyl)methyl]-4-methylbenzenesulfonamide N-[(4-methoxyphenyl)-(6-oxocyclohexen-1-yl)methyl]-4-methyl-benzenesulfonamide N-[(6-ketocyclohexen-1-yl)-(4-methoxyphenyl)methyl]-4-methyl-benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C21H23NO4S
InChI InChI=1S/C21H23NO4S/c1-15-7-13-18(14-8-15)27(24,25)22-21(19-5-3-4-6-20(19)23)16-9-11-17(26-2)12-10-16/h5,7-14,21-22H,3-4,6H2,1-2H3
InChIKey KAZJMFCYWCGMSI-UHFFFAOYSA-N
Molecular Weight 385.478 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C=1C(=O)CCCC1)c1ccc(cc1)OC
SPLASH splash10-001i-0090000000-d2ccfbd02615f80b63e4
Source of Spectrum U1-2002-3675-4
Wiley ID 1523413