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2,6-Bis[5-cyano-3-oxo-3-(prop-1-enyl)urea]pyridine
SpectraBase Compound ID Itwe8SoaU1z
InChI InChI=1S/C15H11N7O4/c16-4-8(6-20-14(18)25)12(23)10-2-1-3-11(22-10)13(24)9(5-17)7-21-15(19)26/h1-3,6-7H,(H3,18,20,25)(H3,19,21,26)/b8-6-,9-7-
InChIKey BBERWRXNLBGTIP-VRHVFUOLSA-N
Mol Weight 353.3 g/mol
Molecular Formula C15H11N7O4
Exact Mass 353.087252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPvJNucCKpp
Name 2,6-Bis[5-cyano-3-oxo-3-(prop-1-enyl)urea]pyridine
Appearance Pale yellow solid
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Formula C15H11N7O4
InChI InChI=1S/C15H11N7O4/c16-4-8(6-20-14(18)25)12(23)10-2-1-3-11(22-10)13(24)9(5-17)7-21-15(19)26/h1-3,6-7H,(H3,18,20,25)(H3,19,21,26)/b8-6-,9-7-
InChIKey BBERWRXNLBGTIP-VRHVFUOLSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.208
Molecular Weight 353.298 g/mol
SMILES N(\C=C/(C(c1cccc(C(\C(=C/NC(=O)N)C#N)=O)n1)=O)C#N)C(=O)N
SPLASH splash10-0159-9000000000-39ee57a2dfb974e315b4
Source of Spectrum ARK-2011-111-11a
Wiley ID 1864367