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Methyl propyl pyridine-5-carboxylate-2-carboxythiolate
SpectraBase Compound ID 6fCFEkmUECv
InChI InChI=1S/C11H13NO3S/c1-3-6-16-11(14)9-5-4-8(7-12-9)10(13)15-2/h4-5,7H,3,6H2,1-2H3
InChIKey AAVCOFSKVZPEEL-UHFFFAOYSA-N
Mol Weight 239.29 g/mol
Molecular Formula C11H13NO3S
Exact Mass 239.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8moaeMawOrT
Name Methyl propyl pyridine-5-carboxylate-2-carboxythiolate
Comments Less than 3 mono-isotopic peaks
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Formula C11H13NO3S
InChI InChI=1S/C11H13NO3S/c1-3-6-16-11(14)9-5-4-8(7-12-9)10(13)15-2/h4-5,7H,3,6H2,1-2H3
InChIKey AAVCOFSKVZPEEL-UHFFFAOYSA-N
Molecular Weight 239.289 g/mol
SMILES c1(C(=O)OC)cnc(C(=O)SCCC)cc1
SPLASH splash10-000i-0900000000-067252ea46fd3f7f5713
Source of Spectrum J-62-1787-3
Synonyms 6-Propylsulfanylcarbonyl-nicotinic acid methyl ester propyl 6-[(methylsulfanyl)carbonyl]nicotinate 6-[oxo-(propylthio)methyl]-3-pyridinecarboxylic acid methyl ester methyl 6-propylsulfanylcarbonylpyridine-3-carboxylate
Wiley ID 1241761