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Cyclohexanebutanamide, .gamma.-hydroxy-N-phenyl-.alpha.-[(phenylsulfonyl)methylene]-
SpectraBase Compound ID AnJ6cpZcqwG
InChI InChI=1S/C23H27NO4S/c25-22(18-10-4-1-5-11-18)16-19(23(26)24-20-12-6-2-7-13-20)17-29(27,28)21-14-8-3-9-15-21/h2-3,6-9,12-15,17-18,22,25H,1,4-5,10-11,16H2,(H,24,26)/b19-17+
InChIKey SVEIDQCTTYFQRK-HTXNQAPBSA-N
Mol Weight 413.53 g/mol
Molecular Formula C23H27NO4S
Exact Mass 413.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcO7vNjdV0h
Name Cyclohexanebutanamide, .gamma.-hydroxy-N-phenyl-.alpha.-[(phenylsulfonyl)methylene]-
CAS Registry Number 118336-39-3
Comments Less than 3 mono-isotopic peaks
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Formula C23H27NO4S
InChI InChI=1S/C23H27NO4S/c25-22(18-10-4-1-5-11-18)16-19(23(26)24-20-12-6-2-7-13-20)17-29(27,28)21-14-8-3-9-15-21/h2-3,6-9,12-15,17-18,22,25H,1,4-5,10-11,16H2,(H,24,26)/b19-17+
InChIKey SVEIDQCTTYFQRK-HTXNQAPBSA-N
Molecular Weight 413.532 g/mol
SMILES N(C(\C(CC(C1CCCCC1)O)=C/S(=O)(=O)c1ccccc1)=O)c1ccccc1
SPLASH splash10-0002-0009400000-f8e178ab37ecee431539
Source of Spectrum J-54-66-4
Synonyms (2E)-2-(2-cyclohexyl-2-hydroxyethyl)-N-phenyl-3-(phenylsulfonyl)-2-propenamide 4-Cyclohexyl-4-hydroxy-N-phenyl-2-[(phenylsulfonyl)methylene]butanamide
Wiley ID 1375019