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3-Thiophenecarboxylic acid, 5-[[4-(1,1-dimethylethyl)phenyl][3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, methyl ester
SpectraBase Compound ID 9KjEzmLDvf7
InChI InChI=1S/C25H28O6S2/c1-12-16(23(28)30-6)19(26)21(32-12)18(14-8-10-15(11-9-14)25(3,4)5)22-20(27)17(13(2)33-22)24(29)31-7/h8-11,18,26-27H,1-7H3
InChIKey FUIFOFCYPIBCCJ-UHFFFAOYSA-N
Mol Weight 488.61 g/mol
Molecular Formula C25H28O6S2
Exact Mass 488.132731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzWLPtiHL3c
Name 3-Thiophenecarboxylic acid, 5-[[4-(1,1-dimethylethyl)phenyl][3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6S2
InChI InChI=1S/C25H28O6S2/c1-12-16(23(28)30-6)19(26)21(32-12)18(14-8-10-15(11-9-14)25(3,4)5)22-20(27)17(13(2)33-22)24(29)31-7/h8-11,18,26-27H,1-7H3
InChIKey FUIFOFCYPIBCCJ-UHFFFAOYSA-N
Molecular Weight 488.613 g/mol
SMILES Oc1c(C(c2sc(c(c2O)C(=O)OC)C)c2ccc(C(C)(C)C)cc2)sc(c1C(=O)OC)C
SPLASH splash10-066u-9640000000-ab564a04fd4f44c08629
Source of Spectrum IY-1-4702-1
Synonyms 5-[(4-tert-butylphenyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester Methyl 5-[(4-tert-butylphenyl)-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)methyl]-4-hydroxy-2-methylthiophene-3-carboxylate Methyl 5-[(4-tert-butylphenyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Methyl 5-[(4-tert-butylphenyl)-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1655004