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6-hydroxy-2-(2-hydroxy-4-tosyloxy-phenyl)benzofuran-3-carboxylic acid methyl ester
SpectraBase Compound ID I7AW2NKNdTm
InChI InChI=1S/C23H18O8S/c1-13-3-7-16(8-4-13)32(27,28)31-15-6-10-17(19(25)12-15)22-21(23(26)29-2)18-9-5-14(24)11-20(18)30-22/h3-12,24-25H,1-2H3
InChIKey MQVJZARHHYSWRW-UHFFFAOYSA-N
Mol Weight 454.45 g/mol
Molecular Formula C23H18O8S
Exact Mass 454.072239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94HzEs2RcXe
Name 6-hydroxy-2-(2-hydroxy-4-tosyloxy-phenyl)benzofuran-3-carboxylic acid methyl ester
Alternate Name(s) 6-hydroxy-2-[2-hydroxy-4-(4-methylphenyl)sulfonyloxyphenyl]-3-benzofurancarboxylic acid methyl ester methyl 2-[4-(4-methylphenyl)sulfonyloxy-2-oxidanyl-phenyl]-6-oxidanyl-1-benzofuran-3-carboxylate methyl 6-hydroxy-2-[2-hydroxy-4-(p-tolylsulfonyloxy)phenyl]benzofuran-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C23H18O8S
InChI InChI=1S/C23H18O8S/c1-13-3-7-16(8-4-13)32(27,28)31-15-6-10-17(19(25)12-15)22-21(23(26)29-2)18-9-5-14(24)11-20(18)30-22/h3-12,24-25H,1-2H3
InChIKey MQVJZARHHYSWRW-UHFFFAOYSA-N
Molecular Weight 454.449 g/mol
SMILES Oc1ccc2c(c(-c3c(cc(cc3)OS(c3ccc(cc3)C)(=O)=O)O)oc2c1)C(=O)OC
SPLASH splash10-014i-0090000000-bbbc3382c7112c819ee0
Source of Spectrum KC-0-4346-24
Wiley ID 832129