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4-Amino-5-cyano-2-methyl-6-methylsulfanyl-nicotinic acid ethyl ester
SpectraBase Compound ID 9ba4zciqFCR
InChI InChI=1S/C11H13N3O2S/c1-4-16-11(15)8-6(2)14-10(17-3)7(5-12)9(8)13/h4H2,1-3H3,(H2,13,14)
InChIKey LFWZZQSTZZROCI-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 HA9mNKVDWdV
Name 4-Amino-5-cyano-2-methyl-6-methylsulfanyl-nicotinic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3O2S
InChI InChI=1S/C11H13N3O2S/c1-4-16-11(15)8-6(2)14-10(17-3)7(5-12)9(8)13/h4H2,1-3H3,(H2,13,14)
InChIKey LFWZZQSTZZROCI-UHFFFAOYSA-N
Molecular Weight 251.304 g/mol
SMILES Nc1c(C#N)c(nc(c1C(=O)OCC)C)SC
SPLASH splash10-0udi-0190000000-cc48ac5313d143f3de40
Source of Spectrum Y-47-174-4b
Synonyms 4-Amino-5-cyano-2-methyl-6-(methylthio)-3-pyridinecarboxylic acid ethyl ester Ethyl 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate Ethyl 4-amino-5-cyano-2-methyl-6-methylsulfanyl-pyridine-3-carboxylate Ethyl 4-azanyl-5-cyano-2-methyl-6-methylsulfanyl-pyridine-3-carboxylate
Wiley ID 1667043