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Methyl [.alpha.(.xi.),.beta.(.xi.)].beta.-Hydroxy-.alpha.-[(.xi.)-2-oxocyclopentyl]-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
SpectraBase Compound ID BjmqYkFYVUS
InChI InChI=1S/C19H21NO6S/c1-26-19(23)17(15-8-5-9-16(15)21)18(22)13-10-11-20(12-13)27(24,25)14-6-3-2-4-7-14/h2-4,6-7,10-12,15,17-18,22H,5,8-9H2,1H3
InChIKey KLILDHFGLBHHBV-UHFFFAOYSA-N
Mol Weight 391.44 g/mol
Molecular Formula C19H21NO6S
Exact Mass 391.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Up3RssRA86
Name Methyl [.alpha.(.xi.),.beta.(.xi.)].beta.-Hydroxy-.alpha.-[(.xi.)-2-oxocyclopentyl]-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
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Formula C19H21NO6S
InChI InChI=1S/C19H21NO6S/c1-26-19(23)17(15-8-5-9-16(15)21)18(22)13-10-11-20(12-13)27(24,25)14-6-3-2-4-7-14/h2-4,6-7,10-12,15,17-18,22H,5,8-9H2,1H3
InChIKey KLILDHFGLBHHBV-UHFFFAOYSA-N
Molecular Weight 391.438 g/mol
SMILES OC(C(C1C(=O)CCC1)C(=O)OC)c1c[n](S(=O)(=O)c2ccccc2)cc1
SPLASH splash10-004i-9100000000-6af2c26088bf4891b806
Source of Spectrum E1-42-852-38
Synonyms 3-[1-(benzenesulfonyl)-3-pyrrolyl]-3-hydroxy-2-(2-oxocyclopentyl)propanoic acid methyl ester Methyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-3-hydroxy-2-(2-oxocyclopentyl)propanoate Methyl 3-oxidanyl-2-(2-oxidanylidenecyclopentyl)-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate
Wiley ID 1552573