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Methyl .alpha.(.xi.)-.alpha.-[(.xi.)-2-Methylenecyclopentyl]-.beta.-oxo-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
SpectraBase Compound ID 5r2QRW33NCS
InChI InChI=1S/C20H21NO5S/c1-14-7-6-10-17(14)18(20(23)26-2)19(22)15-11-12-21(13-15)27(24,25)16-8-4-3-5-9-16/h3-5,8-9,11-13,17-18H,1,6-7,10H2,2H3
InChIKey YQFFSMTWJZNWHZ-UHFFFAOYSA-N
Mol Weight 387.45 g/mol
Molecular Formula C20H21NO5S
Exact Mass 387.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmGceEemUBy
Name Methyl .alpha.(.xi.)-.alpha.-[(.xi.)-2-Methylenecyclopentyl]-.beta.-oxo-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO5S
InChI InChI=1S/C20H21NO5S/c1-14-7-6-10-17(14)18(20(23)26-2)19(22)15-11-12-21(13-15)27(24,25)16-8-4-3-5-9-16/h3-5,8-9,11-13,17-18H,1,6-7,10H2,2H3
InChIKey YQFFSMTWJZNWHZ-UHFFFAOYSA-N
Molecular Weight 387.450 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(C(C1C(=C)CCC1)C(=O)OC)=O
SPLASH splash10-0059-9250000000-99bbf7ce1908327e937b
Source of Spectrum E1-42-850-16
Synonyms 3-[1-(benzenesulfonyl)-3-pyrrolyl]-2-(2-methylenecyclopentyl)-3-oxopropanoic acid methyl ester Methyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(2-methylidenecyclopentyl)-3-oxopropanoate Methyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(2-methylenecyclopentyl)-3-oxo-propanoate Methyl 2-(2-methylidenecyclopentyl)-3-oxidanylidene-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate
Wiley ID 1552492