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4-(1-azepanyl)-3-benzoyl-5-hydroxy-1-(4-methylphenyl)sulfonyl-5-phenyl-2-pyrrolone
SpectraBase Compound ID Lohe3C9kKp7
InChI InChI=1S/C30H30N2O5S/c1-22-16-18-25(19-17-22)38(36,37)32-29(34)26(27(33)23-12-6-4-7-13-23)28(31-20-10-2-3-11-21-31)30(32,35)24-14-8-5-9-15-24/h4-9,12-19,35H,2-3,10-11,20-21H2,1H3
InChIKey SMUHWDJCQBYDSY-UHFFFAOYSA-N
Mol Weight 530.64 g/mol
Molecular Formula C30H30N2O5S
Exact Mass 530.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaKi8s1A3Ew
Name 4-(1-azepanyl)-3-benzoyl-5-hydroxy-1-(4-methylphenyl)sulfonyl-5-phenyl-2-pyrrolone
Alternate Name(s) 4-(azepan-1-yl)-1-(4-methylphenyl)sulfonyl-5-oxidanyl-5-phenyl-3-(phenylcarbonyl)pyrrol-2-one 4-(azepan-1-yl)-3-benzoyl-5-hydroxy-1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-2-one 4-(azepan-1-yl)-3-benzoyl-5-hydroxy-5-phenyl-1-(p-tolylsulfonyl)pyrrol-2-one 4-(azepan-1-yl)-3-benzoyl-5-hydroxy-5-phenyl-1-tosyl-3-pyrrolin-2-one
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Formula C30H30N2O5S
InChI InChI=1S/C30H30N2O5S/c1-22-16-18-25(19-17-22)38(36,37)32-29(34)26(27(33)23-12-6-4-7-13-23)28(31-20-10-2-3-11-21-31)30(32,35)24-14-8-5-9-15-24/h4-9,12-19,35H,2-3,10-11,20-21H2,1H3
InChIKey SMUHWDJCQBYDSY-UHFFFAOYSA-N
Molecular Weight 530.639 g/mol
SMILES OC1(N(C(C(=C1N1CCCCCC1)C(c1ccccc1)=O)=O)S(=O)(=O)c1ccc(cc1)C)c1ccccc1
SPLASH splash10-0a6r-9701000000-ef0497a6c4c107be7aa1
Source of Spectrum F4-0-3434-2
Wiley ID 1620766