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3-Pyridinecarboxylic acid, 1-[4-(dimethylamino)phenyl]-1,2-dihydro-2-thioxo-
SpectraBase Compound ID Jypm8WbfVxo
InChI InChI=1S/C14H14N2O2S/c1-15(2)10-5-7-11(8-6-10)16-9-3-4-12(13(16)19)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKey XZCLAIZPYWUTNR-UHFFFAOYSA-N
Mol Weight 274.34 g/mol
Molecular Formula C14H14N2O2S
Exact Mass 274.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uKbv0oQVUx
Name 3-Pyridinecarboxylic acid, 1-[4-(dimethylamino)phenyl]-1,2-dihydro-2-thioxo-
CAS Registry Number 91540-61-3
Comments Less than 3 mono-isotopic peaks
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Formula C14H14N2O2S
InChI InChI=1S/C14H14N2O2S/c1-15(2)10-5-7-11(8-6-10)16-9-3-4-12(13(16)19)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKey XZCLAIZPYWUTNR-UHFFFAOYSA-N
Molecular Weight 274.338 g/mol
SMILES OC(C=1C(N(c2ccc(cc2)N(C)C)C=CC1)=S)=O
SPLASH splash10-00di-0090000000-63369b3dda36da540218
Source of Spectrum Y-21-45-4
Synonyms 1-(4-dimethylaminophenyl)-2-sulfanylidene-3-pyridinecarboxylic acid 1-(4-dimethylaminophenyl)-2-sulfanylidene-pyridine-3-carboxylic acid 1-(4-dimethylaminophenyl)-2-thioxo-nicotinic acid 1-(4-dimethylaminophenyl)-2-thioxo-pyridine-3-carboxylic acid 1-(4-N,N-dimethylaminophenyl)-3-carboxy-2(1H)-pyridinethone 1-[4-(dimethylamino)phenyl]-2-thioxo-1,2-dihydro-3-pyridinecarboxylic acid 1-[4-(dimethylamino)phenyl]-2-sulfanylidene-3-pyridinecarboxylic acid 1-[4-(dimethylamino)phenyl]-2-sulfanylidenepyridine-3-carboxylic acid 1-[4-(dimethylamino)phenyl]-2-thioxo-pyridine-3-carboxylic acid 1-[4-(dimethylamino)phenyl]-2-sulfanylidene-pyridine-3-carboxylic acid
Wiley ID 1277924