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4-Methyl-N-(2-methylene-5-oxohexyl)-N-((4-oxocyclohex-1-enyl)methyl)benzene-sulfonamide
SpectraBase Compound ID D8mTIQd26X2
InChI InChI=1S/C21H27NO4S/c1-16-5-12-21(13-6-16)27(25,26)22(14-17(2)4-7-18(3)23)15-19-8-10-20(24)11-9-19/h5-6,8,12-13H,2,4,7,9-11,14-15H2,1,3H3
InChIKey AMXUMJITCUKQEC-UHFFFAOYSA-N
Mol Weight 389.51 g/mol
Molecular Formula C21H27NO4S
Exact Mass 389.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fpgsDZqo2r
Name 4-Methyl-N-(2-methylene-5-oxohexyl)-N-((4-oxocyclohex-1-enyl)methyl)benzene-sulfonamide
Alternate Name(s) 4-Methyl-N-(2-methylene-5-oxohexyl)-N-((4-oxocyclohex-1-en-1-yl)methyl)benzenesulfonamide 4-Methyl-N-(2-methylene-5-oxohexyl)-N-[(4-oxo-1-cyclohexenyl)methyl]benzenesulfonamide 4-Methyl-N-(2-methylidene-5-oxohexyl)-N-[(4-oxocyclohexen-1-yl)methyl]benzenesulfonamide 4-Methyl-N-(2-methylene-5-oxo-hexyl)-N-[(4-oxocyclohexen-1-yl)methyl]benzenesulfonamide 4-Methyl-N-(2-methylidene-5-oxidanylidene-hexyl)-N-[(4-oxidanylidenecyclohexen-1-yl)methyl]benzenesulfonamide
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Formula C21H27NO4S
InChI InChI=1S/C21H27NO4S/c1-16-5-12-21(13-6-16)27(25,26)22(14-17(2)4-7-18(3)23)15-19-8-10-20(24)11-9-19/h5-6,8,12-13H,2,4,7,9-11,14-15H2,1,3H3
InChIKey AMXUMJITCUKQEC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301028b
Molecular Weight 389.510 g/mol
SMILES C1(=O)CCC(CN(S(c2ccc(cc2)C)(=O)=O)CC(CCC(C)=O)=C)=CC1
SPLASH splash10-056u-4910000000-e920cbb210dbe1d7317c
Source of Spectrum J-77-8382-9d
Wiley ID 1745220