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Ethyl .alpha.(.xi.)-.alpha.-Methyl-.alpha.-[(.xi.)-2-methylenecyclopentyl]-.beta.-oxo-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
SpectraBase Compound ID 9nvv2qmV2yz
InChI InChI=1S/C22H25NO5S/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/h5-7,10-11,13-15,19H,2,4,8-9,12H2,1,3H3
InChIKey QTGNYNLCJYHDOE-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrkaSQ0Q9Ni
Name Ethyl .alpha.(.xi.)-.alpha.-Methyl-.alpha.-[(.xi.)-2-methylenecyclopentyl]-.beta.-oxo-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
Alternate Name(s) 3-[1-(benzenesulfonyl)-3-pyrrolyl]-2-methyl-2-(2-methylenecyclopentyl)-3-oxopropanoic acid ethyl ester Ethyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-methyl-2-(2-methylidenecyclopentyl)-3-oxopropanoate Ethyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-methyl-2-(2-methylenecyclopentyl)-3-oxo-propanoate Ethyl 2-methyl-2-(2-methylidenecyclopentyl)-3-oxidanylidene-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate
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Formula C22H25NO5S
InChI InChI=1S/C22H25NO5S/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/h5-7,10-11,13-15,19H,2,4,8-9,12H2,1,3H3
InChIKey QTGNYNLCJYHDOE-UHFFFAOYSA-N
Molecular Weight 415.504 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(C(C1C(=C)CCC1)(C(=O)OCC)C)=O
SPLASH splash10-003r-6290000000-d8eb3af41ce1b24e4d24
Source of Spectrum E1-42-850-16
Wiley ID 1552493