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anti-4-Methyl-N-[(2-oxocyclooct-3-enyl)(phenyl)methyl]benzenesulfonamide
SpectraBase Compound ID G1G8CZh0ODi
InChI InChI=1S/C22H25NO3S/c1-17-13-15-19(16-14-17)27(25,26)23-22(18-9-5-4-6-10-18)20-11-7-2-3-8-12-21(20)24/h4-6,8-10,12-16,20,22-23H,2-3,7,11H2,1H3/b12-8-
InChIKey QKLUWGIYMZXWON-WQLSENKSSA-N
Mol Weight 383.51 g/mol
Molecular Formula C22H25NO3S
Exact Mass 383.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xTsphFSMEi
Name anti-4-Methyl-N-[(2-oxocyclooct-3-enyl)(phenyl)methyl]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C22H25NO3S
InChI InChI=1S/C22H25NO3S/c1-17-13-15-19(16-14-17)27(25,26)23-22(18-9-5-4-6-10-18)20-11-7-2-3-8-12-21(20)24/h4-6,8-10,12-16,20,22-23H,2-3,7,11H2,1H3/b12-8-
InChIKey QKLUWGIYMZXWON-WQLSENKSSA-N
Molecular Weight 383.506 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(c1ccccc1)C1C(\C=C/CCCC1)=O
SPLASH splash10-0006-9020000000-9ad9b327bb1539ecd502
Source of Spectrum U1-2002-3677-9
Synonyms syn-4-Methyl-N-[(2-oxocyclooct-3-enyl)(phenyl)methyl]benzenesulfonamide 4-methyl-N-[(2-oxo-3-cycloocten-1-yl)(phenyl)methyl]benzenesulfonamide
Wiley ID 1523390