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5-[(4-carbethoxy-3-hydroxy-5-methyl-2-thienyl)-(3-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID F3gAk08EScd
InChI InChI=1S/C21H22O6S3/c1-5-26-20(24)13-10(3)29-18(16(13)22)15(12-7-8-28-9-12)19-17(23)14(11(4)30-19)21(25)27-6-2/h7-9,15,22-23H,5-6H2,1-4H3
InChIKey BHLDUKFJXATUGT-UHFFFAOYSA-N
Mol Weight 466.58 g/mol
Molecular Formula C21H22O6S3
Exact Mass 466.057852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14So8RSl84
Name 5-[(4-carbethoxy-3-hydroxy-5-methyl-2-thienyl)-(3-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid ethyl ester
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Formula C21H22O6S3
InChI InChI=1S/C21H22O6S3/c1-5-26-20(24)13-10(3)29-18(16(13)22)15(12-7-8-28-9-12)19-17(23)14(11(4)30-19)21(25)27-6-2/h7-9,15,22-23H,5-6H2,1-4H3
InChIKey BHLDUKFJXATUGT-UHFFFAOYSA-N
Molecular Weight 466.581 g/mol
SMILES Oc1c(C(c2sc(c(c2O)C(=O)OCC)C)c2cscc2)sc(c1C(=O)OCC)C
SPLASH splash10-00ll-7890000000-c96134594f7a32380ace
Synonyms 5-[(4-ethoxycarbonyl-3-hydroxy-5-methyl-2-thiophenyl)-(3-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid ethyl ester Ethyl 5-[(4-ethoxycarbonyl-3-hydroxy-5-methyl-2-thienyl)-(3-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Ethyl 5-[(4-ethoxycarbonyl-3-hydroxy-5-methylthiophen-2-yl)-thiophen-3-ylmethyl]-4-hydroxy-2-methylthiophene-3-carboxylate Ethyl 5-[(4-ethoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)-thiophen-3-yl-methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1512403