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N-[2-(3,4-Methylenedioxyphenyl)-2-(2-hydroxycyclohexenyl)ethane]-4-methylbenzenesulfonamide
SpectraBase Compound ID KulLHTo5Rux
InChI InChI=1S/C22H25NO5S/c1-15-6-9-17(10-7-15)29(25,26)23-13-19(18-4-2-3-5-20(18)24)16-8-11-21-22(12-16)28-14-27-21/h4,6-12,19-20,23-24H,2-3,5,13-14H2,1H3
InChIKey LUXJOKNWUVAREM-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lq3lNI5yLNK
Name N-[2-(3,4-Methylenedioxyphenyl)-2-(2-hydroxycyclohexenyl)ethane]-4-methylbenzenesulfonamide
Alternate Name(s) 1-(3,4-Methylenedioxyphenyl)-1-(2-hydroxycyclohexenyl)ethanesulfonamide N-[2-(1,3-benzodioxol-5-yl)-2-(6-hydroxy-1-cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
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Formula C22H25NO5S
InChI InChI=1S/C22H25NO5S/c1-15-6-9-17(10-7-15)29(25,26)23-13-19(18-4-2-3-5-20(18)24)16-8-11-21-22(12-16)28-14-27-21/h4,6-12,19-20,23-24H,2-3,5,13-14H2,1H3
InChIKey LUXJOKNWUVAREM-UHFFFAOYSA-N
Molecular Weight 415.504 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CC(C=1C(CCCC1)O)c1cc2OCOc2cc1
SPLASH splash10-0006-9000000000-96adc500b1ce9b56e448
Source of Spectrum K-2001-1347-12
Wiley ID 1579087