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(3E)-1-(2-methylphenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
SpectraBase Compound ID K9an9FQ2pUS
InChI InChI=1S/C13H12N2OS/c1-10-5-2-3-7-12(10)15-8-4-6-11(9-14-16)13(15)17/h2-9,16H,1H3/b14-9+
InChIKey GNDNKCBYADYVQP-NTEUORMPSA-N
Mol Weight 244.31 g/mol
Molecular Formula C13H12N2OS
Exact Mass 244.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcKFmnLStJe
Name (3E)-1-(2-methylphenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
Alternate Name(s) (3E)-1-(o-tolyl)-2-thioxo-nicotinaldehyde oxime (3E)-1-(o-tolyl)-2-thioxo-pyridine-3-carbaldehyde oxime 3-[(E)-hydroxyiminomethyl]-1-(2-methylphenyl)pyridine-2-thione
CAS Registry Number 91540-40-8
Comments Less than 3 mono-isotopic peaks
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Formula C13H12N2OS
InChI InChI=1S/C13H12N2OS/c1-10-5-2-3-7-12(10)15-8-4-6-11(9-14-16)13(15)17/h2-9,16H,1H3/b14-9+
InChIKey GNDNKCBYADYVQP-NTEUORMPSA-N
Molecular Weight 244.312 g/mol
SMILES O\N=C\C=1C(N(c2c(C)cccc2)C=CC1)=S
SPLASH splash10-004i-0090000000-792e54c2de0cfeecd0ee
Source of Spectrum Y-21-41-1
Wiley ID 1246857