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3-Thiophenecarboxylic acid, 5-[2-(4-fluorophenyl)-1-[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]-2-oxoethyl]-4-hydroxy-2-methyl-, methyl ester
SpectraBase Compound ID KKp6i7jK84k
InChI InChI=1S/C22H19FO7S2/c1-9-13(21(27)29-3)17(25)19(31-9)15(16(24)11-5-7-12(23)8-6-11)20-18(26)14(10(2)32-20)22(28)30-4/h5-8,15,25-26H,1-4H3
InChIKey POMUPURPNDBSMY-UHFFFAOYSA-N
Mol Weight 478.51 g/mol
Molecular Formula C22H19FO7S2
Exact Mass 478.055623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBx7wAEspJl
Name 3-Thiophenecarboxylic acid, 5-[2-(4-fluorophenyl)-1-[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]-2-oxoethyl]-4-hydroxy-2-methyl-, methyl ester
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Formula C22H19FO7S2
InChI InChI=1S/C22H19FO7S2/c1-9-13(21(27)29-3)17(25)19(31-9)15(16(24)11-5-7-12(23)8-6-11)20-18(26)14(10(2)32-20)22(28)30-4/h5-8,15,25-26H,1-4H3
InChIKey POMUPURPNDBSMY-UHFFFAOYSA-N
Molecular Weight 478.505 g/mol
SMILES Oc1c(C(c2c(O)c(c(s2)C)C(OC)=O)C(=O)c2ccc(cc2)F)sc(c1C(=O)OC)C
SPLASH splash10-0abc-0259000000-d5601c15a9a87c715f71
Source of Spectrum IY-1-4701-9
Synonyms 5-[2-(4-fluorophenyl)-1-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)-2-oxoethyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester Methyl 5-[2-(4-fluorophenyl)-1-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate Methyl 5-[2-(4-fluorophenyl)-1-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)-2-oxo-ethyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Methyl 5-[2-(4-fluorophenyl)-1-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)-2-oxidanylidene-ethyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1655002