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1-(2-methylphenyl)-2-sulfanylidene-3-pyridinecarbonitrile
SpectraBase Compound ID IgwckjfZnjM
InChI InChI=1S/C13H10N2S/c1-10-5-2-3-7-12(10)15-8-4-6-11(9-14)13(15)16/h2-8H,1H3
InChIKey MOVLDURRVXWIRK-UHFFFAOYSA-N
Mol Weight 226.3 g/mol
Molecular Formula C13H10N2S
Exact Mass 226.05647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39Gq8tZyyLR
Name 1-(2-methylphenyl)-2-sulfanylidene-3-pyridinecarbonitrile
Alternate Name(s) 1-(2-methylphenyl)-2-sulfanylidene-pyridine-3-carbonitrile 1-(o-tolyl)-2-thioxo-nicotinonitrile 1-(o-tolyl)-2-thioxo-pyridine-3-carbonitrile
CAS Registry Number 91540-49-7
Comments Less than 3 mono-isotopic peaks
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Formula C13H10N2S
InChI InChI=1S/C13H10N2S/c1-10-5-2-3-7-12(10)15-8-4-6-11(9-14)13(15)16/h2-8H,1H3
InChIKey MOVLDURRVXWIRK-UHFFFAOYSA-N
Molecular Weight 226.297 g/mol
SMILES C1(N(C=CC=C1C#N)c1c(C)cccc1)=S
SPLASH splash10-03di-0090000000-77665cf895efdfefbf3a
Source of Spectrum Y-21-44-2
Wiley ID 1227507