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3-Pyridinecarbonitrile, 1-[4-(dimethylamino)phenyl]-1,2-dihydro-2-thioxo-
SpectraBase Compound ID 2QlLBwti11w
InChI InChI=1S/C14H13N3S/c1-16(2)12-5-7-13(8-6-12)17-9-3-4-11(10-15)14(17)18/h3-9H,1-2H3
InChIKey DGBFXKXIHSAVHK-UHFFFAOYSA-N
Mol Weight 255.34 g/mol
Molecular Formula C14H13N3S
Exact Mass 255.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0IIZNszgfI
Name 3-Pyridinecarbonitrile, 1-[4-(dimethylamino)phenyl]-1,2-dihydro-2-thioxo-
Alternate Name(s) 1-(4-dimethylaminophenyl)-2-sulfanylidene-3-pyridinecarbonitrile 1-(4-dimethylaminophenyl)-2-sulfanylidene-pyridine-3-carbonitrile 1-(4-dimethylaminophenyl)-2-thioxo-nicotinonitrile 1-(4-dimethylaminophenyl)-2-thioxo-pyridine-3-carbonitrile 1-(4-N,N-dimethylaminophenyl)-3-cyano-2(1H)-pyridinethone 1-[4-(dimethylamino)phenyl]-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile 1-[4-(dimethylamino)phenyl]-2-sulfanylidene-3-pyridinecarbonitrile 1-[4-(dimethylamino)phenyl]-2-sulfanylidenepyridine-3-carbonitrile 1-[4-(dimethylamino)phenyl]-2-thioxo-pyridine-3-carbonitrile 1-[4-(dimethylamino)phenyl]-2-sulfanylidene-pyridine-3-carbonitrile
CAS Registry Number 91540-47-5
Comments Less than 3 mono-isotopic peaks
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Formula C14H13N3S
InChI InChI=1S/C14H13N3S/c1-16(2)12-5-7-13(8-6-12)17-9-3-4-11(10-15)14(17)18/h3-9H,1-2H3
InChIKey DGBFXKXIHSAVHK-UHFFFAOYSA-N
Molecular Weight 255.339 g/mol
SMILES C1(N(c2ccc(cc2)N(C)C)C=CC=C1C#N)=S
SPLASH splash10-0pb9-0790000000-8b6cb5c9b0752b0474bf
Source of Spectrum Y-21-44-2
Wiley ID 1258811