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4-(1-phenylsulfonylpyrrole-3-carbonyl)nicotinic acid methyl ester
SpectraBase Compound ID DunQ0tjlkc0
InChI InChI=1S/C18H14N2O5S/c1-25-18(22)16-11-19-9-7-15(16)17(21)13-8-10-20(12-13)26(23,24)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey JMAIHJQSYLNCGI-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 9dor0WAuyty
Name Methyl 4-[[1-phenylsulfonyl-1H-pyrroyl]carbonyl]nicotinate
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Formula C18H14N2O5S
InChI InChI=1S/C18H14N2O5S/c1-25-18(22)16-11-19-9-7-15(16)17(21)13-8-10-20(12-13)26(23,24)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey JMAIHJQSYLNCGI-UHFFFAOYSA-N
Molecular Weight 370.379 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(c1c(C(=O)OC)cncc1)=O
SPLASH splash10-004i-9120000000-a9beede44d53f2229e9c
Source of Spectrum H1-54-118-15
Synonyms 4-(1-besylpyrrole-3-carbonyl)nicotinic acid methyl ester 4-[[1-(benzenesulfonyl)-3-pyrrolyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester Methyl 4-[1-(benzenesulfonyl)pyrrole-3-carbonyl]pyridine-3-carboxylate Methyl 4-[1-(phenylsulfonyl)pyrrol-3-yl]carbonylpyridine-3-carboxylate
Wiley ID 1564265