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1-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one
SpectraBase Compound ID AhFNXbOjbPD
InChI InChI=1S/C21H24N2O4S/c1-22(2)11-5-12-23-18(14-7-9-15(27-3)10-8-14)17(20(25)21(23)26)19(24)16-6-4-13-28-16/h4,6-10,13,18,25H,5,11-12H2,1-3H3
InChIKey VPHXNKREYYLFFS-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kut9CEmjVZe
Name 1-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one
Alternate Name(s) 1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-methoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-2-one 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methoxyphenyl)-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one 1-[3-(dimethylammonio)propyl]-2-(4-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate 1-[3-(dimethylammonio)propyl]-2-(4-methoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate 1-[3-(dimethylammonio)propyl]-2-keto-5-(4-methoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate 1-[3-(dimethylazaniumyl)propyl]-2-(4-methoxyphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate 1-[3-(dimethylazaniumyl)propyl]-2-(4-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate
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Formula C21H24N2O4S
InChI InChI=1S/C21H24N2O4S/c1-22(2)11-5-12-23-18(14-7-9-15(27-3)10-8-14)17(20(25)21(23)26)19(24)16-6-4-13-28-16/h4,6-10,13,18,25H,5,11-12H2,1-3H3
InChIKey VPHXNKREYYLFFS-UHFFFAOYSA-N
Molecular Weight 400.493 g/mol
SMILES OC1=C(C(N(CCCN(C)C)C1=O)c1ccc(cc1)OC)C(c1sccc1)=O
SPLASH splash10-0a4i-9100000000-d764a8dcf6569c514596
Wiley ID 1444453