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3-Thiophenecarboxylic acid, 5-[[4-(ethoxycarbonyl)-3-hydroxy-5-methyl-2-thienyl](3-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-, ethyl ester
SpectraBase Compound ID D8aY5hZs0C5
InChI InChI=1S/C22H24O6S3/c1-6-27-21(25)13-11(4)30-19(16(13)23)15(18-10(3)8-9-29-18)20-17(24)14(12(5)31-20)22(26)28-7-2/h8-9,15,23-24H,6-7H2,1-5H3
InChIKey IFALLTATXHSQOJ-UHFFFAOYSA-N
Mol Weight 480.61 g/mol
Molecular Formula C22H24O6S3
Exact Mass 480.073502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ULzkRx7vlL
Name 3-Thiophenecarboxylic acid, 5-[[4-(ethoxycarbonyl)-3-hydroxy-5-methyl-2-thienyl](3-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O6S3
InChI InChI=1S/C22H24O6S3/c1-6-27-21(25)13-11(4)30-19(16(13)23)15(18-10(3)8-9-29-18)20-17(24)14(12(5)31-20)22(26)28-7-2/h8-9,15,23-24H,6-7H2,1-5H3
InChIKey IFALLTATXHSQOJ-UHFFFAOYSA-N
Molecular Weight 480.608 g/mol
SMILES Oc1c(C(c2sc(c(c2O)C(=O)OCC)C)c2c(ccs2)C)sc(c1C(=O)OCC)C
SPLASH splash10-014l-9650000000-5fa520aeb57e0e97f985
Source of Spectrum IY-1-4536-2
Synonyms 5-[(4-ethoxycarbonyl-3-hydroxy-5-methyl-2-thiophenyl)-(3-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid ethyl ester Ethyl 5-[(4-ethoxycarbonyl-3-hydroxy-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methyl]-4-hydroxy-2-methylthiophene-3-carboxylate Ethyl 5-[(4-ethoxycarbonyl-3-hydroxy-5-methyl-2-thienyl)-(3-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Ethyl 5-[(4-ethoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)-(3-methylthiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1653345