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2,6-Bis[3-oxo-3-propanenitrile-2-(N,N-dimethyl amino)methylene]pyridine
SpectraBase Compound ID 5Me6iRKzrf9
InChI InChI=1S/C17H17N5O2/c1-21(2)10-12(8-18)16(23)14-6-5-7-15(20-14)17(24)13(9-19)11-22(3)4/h5-7,10-11H,1-4H3/b12-10+,13-11+
InChIKey QJBRTLPLMLIFPH-DCIPZJNNSA-N
Mol Weight 323.36 g/mol
Molecular Formula C17H17N5O2
Exact Mass 323.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C95Nkq1kIcQ
Name 2,6-Bis[3-oxo-3-propanenitrile-2-(N,N-dimethyl amino)methylene]pyridine
Appearance Yellow crystal
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Formula C17H17N5O2
InChI InChI=1S/C17H17N5O2/c1-21(2)10-12(8-18)16(23)14-6-5-7-15(20-14)17(24)13(9-19)11-22(3)4/h5-7,10-11H,1-4H3/b12-10+,13-11+
InChIKey QJBRTLPLMLIFPH-DCIPZJNNSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.208
Molecular Weight 323.356 g/mol
SMILES c1ccc(nc1C(=O)\C(=C\N(C)C)C#N)C(\C(C#N)=C\N(C)C)=O
SPLASH splash10-00e9-4934000000-49647c87fd32d7193d4c
Source of Spectrum ARK-2011-110-3
Wiley ID 1864372