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Ethyl .alpha.(.xi.),.beta.(.xi.)-.beta.-Hydroxy-.alpha.-methyl-.alpha.-[(.xi.)-2-methylenecyclopentyl]-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
SpectraBase Compound ID 5msj1yVRaXx
InChI InChI=1S/C22H27NO5S/c1-4-28-21(25)22(3,19-12-8-9-16(19)2)20(24)17-13-14-23(15-17)29(26,27)18-10-6-5-7-11-18/h5-7,10-11,13-15,19-20,24H,2,4,8-9,12H2,1,3H3
InChIKey GYVDKBMEPVXSKV-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qNIOIuMWGL
Name Ethyl .alpha.(.xi.),.beta.(.xi.)-.beta.-Hydroxy-.alpha.-methyl-.alpha.-[(.xi.)-2-methylenecyclopentyl]-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
Alternate Name(s) 3-[1-(benzenesulfonyl)-3-pyrrolyl]-3-hydroxy-2-methyl-2-(2-methylenecyclopentyl)propanoic acid ethyl ester Ethyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-3-hydroxy-2-methyl-2-(2-methylidenecyclopentyl)propanoate Ethyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-3-hydroxy-2-methyl-2-(2-methylenecyclopentyl)propanoate Ethyl 2-methyl-2-(2-methylidenecyclopentyl)-3-oxidanyl-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate
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Formula C22H27NO5S
InChI InChI=1S/C22H27NO5S/c1-4-28-21(25)22(3,19-12-8-9-16(19)2)20(24)17-13-14-23(15-17)29(26,27)18-10-6-5-7-11-18/h5-7,10-11,13-15,19-20,24H,2,4,8-9,12H2,1,3H3
InChIKey GYVDKBMEPVXSKV-UHFFFAOYSA-N
Molecular Weight 417.520 g/mol
SMILES OC(C(C1C(=C)CCC1)(C(=O)OCC)C)c1c[n](S(=O)(=O)c2ccccc2)cc1
SPLASH splash10-0fbl-9840000000-2db4b9760cf19cc5f932
Source of Spectrum E1-42-850-15
Wiley ID 1552495