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4-Amino-5-cyano-6-ethylsulfanyl-2-methyl-nicotinic acid methyl ester
SpectraBase Compound ID BGjBStzTzMG
InChI InChI=1S/C11H13N3O2S/c1-4-17-10-7(5-12)9(13)8(6(2)14-10)11(15)16-3/h4H2,1-3H3,(H2,13,14)
InChIKey OHYIGYCENFDCIX-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C11H13N3O2S
Exact Mass 251.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4eKBQi4wCQ
Name 4-Amino-5-cyano-6-ethylsulfanyl-2-methyl-nicotinic acid methyl ester
Alternate Name(s) 4-Amino-5-cyano-6-(ethylthio)-2-methyl-3-pyridinecarboxylic acid methyl ester Methyl 4-amino-5-cyano-6-ethylsulfanyl-2-methylpyridine-3-carboxylate Methyl 4-amino-5-cyano-6-ethylsulfanyl-2-methyl-pyridine-3-carboxylate Methyl 4-azanyl-5-cyano-6-ethylsulfanyl-2-methyl-pyridine-3-carboxylate
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Formula C11H13N3O2S
InChI InChI=1S/C11H13N3O2S/c1-4-17-10-7(5-12)9(13)8(6(2)14-10)11(15)16-3/h4H2,1-3H3,(H2,13,14)
InChIKey OHYIGYCENFDCIX-UHFFFAOYSA-N
Molecular Weight 251.304 g/mol
SMILES Nc1c(C#N)c(nc(c1C(=O)OC)C)SCC
SPLASH splash10-0frf-0890000000-73be254a7f968501f018
Source of Spectrum Y-47-174-4c
Wiley ID 1667042