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3-Thiophenecarboxylic acid, 4-hydroxy-5-[1-[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]-2-oxo-2-phenylethyl]-2-methyl-, methyl ester
SpectraBase Compound ID 1zaGJ5kKn6Y
InChI InChI=1S/C22H20O7S2/c1-10-13(21(26)28-3)17(24)19(30-10)15(16(23)12-8-6-5-7-9-12)20-18(25)14(11(2)31-20)22(27)29-4/h5-9,15,24-25H,1-4H3
InChIKey IUOWHTCSZQOMAP-UHFFFAOYSA-N
Mol Weight 460.52 g/mol
Molecular Formula C22H20O7S2
Exact Mass 460.065045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFJnOGF4RYA
Name 3-Thiophenecarboxylic acid, 4-hydroxy-5-[1-[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]-2-oxo-2-phenylethyl]-2-methyl-, methyl ester
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Formula C22H20O7S2
InChI InChI=1S/C22H20O7S2/c1-10-13(21(26)28-3)17(24)19(30-10)15(16(23)12-8-6-5-7-9-12)20-18(25)14(11(2)31-20)22(27)29-4/h5-9,15,24-25H,1-4H3
InChIKey IUOWHTCSZQOMAP-UHFFFAOYSA-N
Molecular Weight 460.515 g/mol
SMILES Oc1c(C(c2c(O)c(c(s2)C)C(OC)=O)C(=O)c2ccccc2)sc(c1C(=O)OC)C
SPLASH splash10-0abc-3589000000-8b63761da47a8b4b1adf
Source of Spectrum IY-1-4700-3
Synonyms 4-Hydroxy-5-[1-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)-2-oxo-2-phenylethyl]-2-methyl-3-thiophenecarboxylic acid methyl ester Methyl 4-hydroxy-5-[1-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)-2-oxo-2-phenylethyl]-2-methylthiophene-3-carboxylate Methyl 4-hydroxy-5-[1-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)-2-oxo-2-phenyl-ethyl]-2-methyl-thiophene-3-carboxylate Methyl 5-[1-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)-2-oxidanylidene-2-phenyl-ethyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1654986