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4-Chlorophenyl 4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate
SpectraBase Compound ID KZnyt41BzIP
InChI InChI=1S/C21H17ClN2O3S/c1-13-11-14(12-26-2)17-18(24-9-3-4-10-24)19(28-20(17)23-13)21(25)27-16-7-5-15(22)6-8-16/h3-11H,12H2,1-2H3
InChIKey ACACHQVWMZDAOZ-UHFFFAOYSA-N
Mol Weight 412.89 g/mol
Molecular Formula C21H17ClN2O3S
Exact Mass 412.064841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qlwaI3Pns
Name 4-Chlorophenyl 4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate
Alternate Name(s) (4-chlorophenyl) 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate 4-(methoxymethyl)-6-methyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid (4-chlorophenyl) ester 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid (4-chlorophenyl) ester
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Formula C21H17ClN2O3S
InChI InChI=1S/C21H17ClN2O3S/c1-13-11-14(12-26-2)17-18(24-9-3-4-10-24)19(28-20(17)23-13)21(25)27-16-7-5-15(22)6-8-16/h3-11H,12H2,1-2H3
InChIKey ACACHQVWMZDAOZ-UHFFFAOYSA-N
Molecular Weight 412.891 g/mol
SMILES c1(c(c2c(cc(nc2s1)C)COC)-[n]1cccc1)C(Oc1ccc(Cl)cc1)=O
SPLASH splash10-0f9i-2390000000-c7d63fa312b4f10ca7bd
Wiley ID 1445616