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[3-Acetyl-2-(3,4-dimethoxy-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-acetic acid
SpectraBase Compound ID CaTeEajL7rg
InChI InChI=1S/C16H17NO7/c1-8(18)13-14(17(7-12(19)20)16(22)15(13)21)9-4-5-10(23-2)11(6-9)24-3/h4-6,14,21H,7H2,1-3H3,(H,19,20)
InChIKey ISVQVQREDUSYIZ-UHFFFAOYSA-N
Mol Weight 335.31 g/mol
Molecular Formula C16H17NO7
Exact Mass 335.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1thRRovmXA
Name [3-Acetyl-2-(3,4-dimethoxy-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-acetic acid
Alternate Name(s) 2-[2-(3,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethanoic acid 2-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]acetic acid 2-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid [3-Acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid
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Formula C16H17NO7
InChI InChI=1S/C16H17NO7/c1-8(18)13-14(17(7-12(19)20)16(22)15(13)21)9-4-5-10(23-2)11(6-9)24-3/h4-6,14,21H,7H2,1-3H3,(H,19,20)
InChIKey ISVQVQREDUSYIZ-UHFFFAOYSA-N
Molecular Weight 335.312 g/mol
SMILES OC(CN1C(C(=C(C1=O)O)C(=O)C)c1cc(OC)c(cc1)OC)=O
SPLASH splash10-000f-9773000000-2b7facb8bc61e1b129cf
Wiley ID 1447126