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2-(1,1-Dicyanomethylidene)-6-phenyl-1,3-dihydropyrimidin-4(1H)-one
SpectraBase Compound ID CCJDc95WWNk
InChI InChI=1S/C13H8N4O/c14-7-10(8-15)13-16-11(6-12(18)17-13)9-4-2-1-3-5-9/h1-6,16H,(H,17,18)
InChIKey LEXZLFMNICSRMO-UHFFFAOYSA-N
Mol Weight 236.23 g/mol
Molecular Formula C13H8N4O
Exact Mass 236.069811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Auj89EPSoRR
Name 2-(1,1-Dicyanomethylidene)-6-phenyl-1,3-dihydropyrimidin-4(1H)-one
Appearance White needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N4O
InChI InChI=1S/C13H8N4O/c14-7-10(8-15)13-16-11(6-12(18)17-13)9-4-2-1-3-5-9/h1-6,16H,(H,17,18)
InChIKey LEXZLFMNICSRMO-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2525
Molecular Weight 236.234 g/mol
SMILES N1C(NC(=CC1=O)c1ccccc1)=C(C#N)C#N
SPLASH splash10-0f79-0890000000-99821ca597fc007e0164
Source of Spectrum Y-53-2033-2g
Wiley ID 1876750