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5-[(4-bromo-2-thienyl)-(4-carbomethoxy-3-hydroxy-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid methyl ester
SpectraBase Compound ID GIrGhhBtIhS
InChI InChI=1S/C19H17BrO6S3/c1-7-11(18(23)25-3)14(21)16(28-7)13(10-5-9(20)6-27-10)17-15(22)12(8(2)29-17)19(24)26-4/h5-6,13,21-22H,1-4H3
InChIKey HVJCMIHRPXKCFS-UHFFFAOYSA-N
Mol Weight 517.42 g/mol
Molecular Formula C19H17BrO6S3
Exact Mass 515.937065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgM09JJvOWZ
Name 5-[(4-bromo-2-thienyl)-(4-carbomethoxy-3-hydroxy-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid methyl ester
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Formula C19H17BrO6S3
InChI InChI=1S/C19H17BrO6S3/c1-7-11(18(23)25-3)14(21)16(28-7)13(10-5-9(20)6-27-10)17-15(22)12(8(2)29-17)19(24)26-4/h5-6,13,21-22H,1-4H3
InChIKey HVJCMIHRPXKCFS-UHFFFAOYSA-N
Molecular Weight 517.423 g/mol
SMILES Oc1c(c(sc1C(c1sc(c(c1O)C(=O)OC)C)c1scc(c1)Br)C)C(=O)OC
SPLASH splash10-014j-9424000000-dd37ea714f2c896399cc
Synonyms 5-[(4-bromo-2-thiophenyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester Methyl 5-[(4-bromanylthiophen-2-yl)-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate Methyl 5-[(4-bromo-2-thienyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Methyl 5-[(4-bromothiophen-2-yl)-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)methyl]-4-hydroxy-2-methylthiophene-3-carboxylate
Wiley ID 1512176