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3-(1-phenylsulfonylpyrrole-3-carbonyl)isonicotinic acid methyl ester
SpectraBase Compound ID F9IFXEOqnVG
InChI InChI=1S/C18H14N2O5S/c1-25-18(22)15-7-9-19-11-16(15)17(21)13-8-10-20(12-13)26(23,24)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey GWPSFRWCHWWNSX-UHFFFAOYSA-N
Mol Weight 370.38 g/mol
Molecular Formula C18H14N2O5S
Exact Mass 370.062343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKk74ifAihd
Name 3-(1-besylpyrrole-3-carbonyl)isonicotinic acid methyl ester
Alternate Name(s) Methyl 3-[[1-phenylsulfonyl-1H-3-pyrroyl]carbonyl]nicotinate 3-[[1-(benzenesulfonyl)-3-pyrrolyl]-oxomethyl]-4-pyridinecarboxylic acid methyl ester Methyl 3-[1-(benzenesulfonyl)pyrrole-3-carbonyl]pyridine-4-carboxylate Methyl 3-[1-(phenylsulfonyl)pyrrol-3-yl]carbonylpyridine-4-carboxylate
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Formula C18H14N2O5S
InChI InChI=1S/C18H14N2O5S/c1-25-18(22)15-7-9-19-11-16(15)17(21)13-8-10-20(12-13)26(23,24)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey GWPSFRWCHWWNSX-UHFFFAOYSA-N
Molecular Weight 370.379 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(c1c(C(=O)OC)ccnc1)=O
SPLASH splash10-0040-9000000000-3dc058a1cfd246831f46
Source of Spectrum O1-54-120-19
Wiley ID 1590979