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N-[(2-keto-4-methoxy-cyclooctyl)-(4-methoxyphenyl)methyl]-4-methyl-benzenesulfonamide
SpectraBase Compound ID ItxVjezWUge
InChI InChI=1S/C24H31NO5S/c1-17-8-14-21(15-9-17)31(27,28)25-24(18-10-12-19(29-2)13-11-18)22-7-5-4-6-20(30-3)16-23(22)26/h8-15,20,22,24-25H,4-7,16H2,1-3H3
InChIKey MTOMYBRBXAYDOY-UHFFFAOYSA-N
Mol Weight 445.57 g/mol
Molecular Formula C24H31NO5S
Exact Mass 445.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2o8FqUzmtHA
Name N-[(2-keto-4-methoxy-cyclooctyl)-(4-methoxyphenyl)methyl]-4-methyl-benzenesulfonamide
Alternate Name(s) N-[(4-methoxy-2-oxidanylidene-cyclooctyl)-(4-methoxyphenyl)methyl]-4-methyl-benzenesulfonamide N-[(4-methoxy-2-oxo-cyclooctyl)-(4-methoxyphenyl)methyl]-4-methyl-benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C24H31NO5S
InChI InChI=1S/C24H31NO5S/c1-17-8-14-21(15-9-17)31(27,28)25-24(18-10-12-19(29-2)13-11-18)22-7-5-4-6-20(30-3)16-23(22)26/h8-15,20,22,24-25H,4-7,16H2,1-3H3
InChIKey MTOMYBRBXAYDOY-UHFFFAOYSA-N
Molecular Weight 445.574 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C1C(CC(OC)CCCC1)=O)c1ccc(cc1)OC
SPLASH splash10-0006-6090000000-f5ae045a7643e0d23ed3
Source of Spectrum U1-2002-3678-10
Wiley ID 1523382