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3-Thiophenecarboxylic acid, 5-[(2,4-dichlorophenyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, methyl ester
SpectraBase Compound ID D9rKtX7NEpi
InChI InChI=1S/C21H18Cl2O6S2/c1-8-13(20(26)28-3)16(24)18(30-8)15(11-6-5-10(22)7-12(11)23)19-17(25)14(9(2)31-19)21(27)29-4/h5-7,15,24-25H,1-4H3
InChIKey DBKKZSJTYUPBDA-UHFFFAOYSA-N
Mol Weight 501.4 g/mol
Molecular Formula C21H18Cl2O6S2
Exact Mass 499.992186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwwFRQDvKeL
Name 3-Thiophenecarboxylic acid, 5-[(2,4-dichlorophenyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, methyl ester
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Formula C21H18Cl2O6S2
InChI InChI=1S/C21H18Cl2O6S2/c1-8-13(20(26)28-3)16(24)18(30-8)15(11-6-5-10(22)7-12(11)23)19-17(25)14(9(2)31-19)21(27)29-4/h5-7,15,24-25H,1-4H3
InChIKey DBKKZSJTYUPBDA-UHFFFAOYSA-N
Molecular Weight 501.395 g/mol
SMILES Oc1c(C(c2sc(c(c2O)C(=O)OC)C)c2ccc(cc2Cl)Cl)sc(c1C(=O)OC)C
SPLASH splash10-014l-9640000000-9af4f76d1903ed1810ee
Source of Spectrum IY-1-4506-2
Synonyms 5-[(2,4-dichlorophenyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester Methyl 5-[(2,4-dichlorophenyl)-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)methyl]-4-hydroxy-2-methylthiophene-3-carboxylate Methyl 5-[(2,4-dichlorophenyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Methyl 5-[(2,4-dichlorophenyl)-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1653045