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3-Thiophenecarboxylic acid, 4-hydroxy-5-[[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl](4-methoxyphenyl)methyl]-2-methyl-, methyl ester
SpectraBase Compound ID Dxk0V7DnlIK
InChI InChI=1S/C22H22O7S2/c1-10-14(21(25)28-4)17(23)19(30-10)16(12-6-8-13(27-3)9-7-12)20-18(24)15(11(2)31-20)22(26)29-5/h6-9,16,23-24H,1-5H3
InChIKey MTTFOBDDUMNIJB-UHFFFAOYSA-N
Mol Weight 462.53 g/mol
Molecular Formula C22H22O7S2
Exact Mass 462.080695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnO34CXhbWQ
Name 3-Thiophenecarboxylic acid, 4-hydroxy-5-[[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl](4-methoxyphenyl)methyl]-2-methyl-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O7S2
InChI InChI=1S/C22H22O7S2/c1-10-14(21(25)28-4)17(23)19(30-10)16(12-6-8-13(27-3)9-7-12)20-18(24)15(11(2)31-20)22(26)29-5/h6-9,16,23-24H,1-5H3
InChIKey MTTFOBDDUMNIJB-UHFFFAOYSA-N
Molecular Weight 462.531 g/mol
SMILES Oc1c(C(c2sc(c(c2O)C(=O)OC)C)c2ccc(cc2)OC)sc(c1C(=O)OC)C
SPLASH splash10-05mx-9870000000-ed5495222367a0097763
Source of Spectrum IY-1-4505-6
Synonyms 4-Hydroxy-5-[(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)-(4-methoxyphenyl)methyl]-2-methyl-3-thiophenecarboxylic acid methyl ester Methyl 4-hydroxy-5-[(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)-(4-methoxyphenyl)methyl]-2-methylthiophene-3-carboxylate Methyl 4-hydroxy-5-[(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)-(4-methoxyphenyl)methyl]-2-methyl-thiophene-3-carboxylate Methyl 5-[(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)-(4-methoxyphenyl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1653039