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3-Thiophenecarboxylic acid, 5-[(2,3-dichlorophenyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, methyl ester
SpectraBase Compound ID 8fxXgUazSRp
InChI InChI=1S/C21H18Cl2O6S2/c1-8-12(20(26)28-3)16(24)18(30-8)14(10-6-5-7-11(22)15(10)23)19-17(25)13(9(2)31-19)21(27)29-4/h5-7,14,24-25H,1-4H3
InChIKey UKPWJRYHJKVCSP-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 B3RwEzP3oiu
Name 3-Thiophenecarboxylic acid, 5-[(2,3-dichlorophenyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18Cl2O6S2
InChI InChI=1S/C21H18Cl2O6S2/c1-8-12(20(26)28-3)16(24)18(30-8)14(10-6-5-7-11(22)15(10)23)19-17(25)13(9(2)31-19)21(27)29-4/h5-7,14,24-25H,1-4H3
InChIKey UKPWJRYHJKVCSP-UHFFFAOYSA-N
Molecular Weight 501.395 g/mol
SMILES Oc1c(C(c2sc(c(c2O)C(=O)OC)C)c2cccc(c2Cl)Cl)sc(c1C(=O)OC)C
SPLASH splash10-00kg-9772000000-9988917ae09832b42fd3
Source of Spectrum IY-1-4506-1
Synonyms 5-[(2,3-dichlorophenyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester Methyl 5-[(2,3-dichlorophenyl)-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)methyl]-4-hydroxy-2-methylthiophene-3-carboxylate Methyl 5-[(2,3-dichlorophenyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Methyl 5-[[2,3-bis(chloranyl)phenyl]-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1653044