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5-[1,3-benzodioxol-5-yl-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester
SpectraBase Compound ID 2fkjQPng08a
InChI InChI=1S/C22H20O8S2/c1-9-14(21(25)27-3)17(23)19(31-9)16(11-5-6-12-13(7-11)30-8-29-12)20-18(24)15(10(2)32-20)22(26)28-4/h5-7,16,23-24H,8H2,1-4H3
InChIKey QJWQCBQQFZSWEC-UHFFFAOYSA-N
Mol Weight 476.51 g/mol
Molecular Formula C22H20O8S2
Exact Mass 476.05996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEulNsovEEP
Name 5-[1,3-benzodioxol-5-yl-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O8S2
InChI InChI=1S/C22H20O8S2/c1-9-14(21(25)27-3)17(23)19(31-9)16(11-5-6-12-13(7-11)30-8-29-12)20-18(24)15(10(2)32-20)22(26)28-4/h5-7,16,23-24H,8H2,1-4H3
InChIKey QJWQCBQQFZSWEC-UHFFFAOYSA-N
Molecular Weight 476.514 g/mol
SMILES Oc1c(C(c2sc(c(c2O)C(=O)OC)C)c2cc3c(cc2)OCO3)sc(c1C(=O)OC)C
SPLASH splash10-0uk9-9778100000-8b998aa8b1debaf8c36a
Synonyms 5-[1,3-benzodioxol-5-yl-(4-carbomethoxy-3-hydroxy-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid methyl ester Methyl 5-[1,3-benzodioxol-5-yl-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Methyl 5-[1,3-benzodioxol-5-yl-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)methyl]-4-hydroxy-2-methylthiophene-3-carboxylate Methyl 5-[1,3-benzodioxol-5-yl-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1512187