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4-Oxo-2-phenyl-4H-pyrido[1,2-a]pyrimidine-7-carbonitrile
SpectraBase Compound ID G1iwzU9Ijvu
InChI InChI=1S/C15H9N3O/c16-9-11-6-7-14-17-13(8-15(19)18(14)10-11)12-4-2-1-3-5-12/h1-8,10H
InChIKey JQWZRFQCLIJHQH-UHFFFAOYSA-N
Mol Weight 247.26 g/mol
Molecular Formula C15H9N3O
Exact Mass 247.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjgQoMnIVi5
Name 4-Oxo-2-phenyl-4H-pyrido[1,2-a]pyrimidine-7-carbonitrile
Appearance Colorless solid
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Exact Mass 247.074561921 u
Formula C15H9N3O
InChI InChI=1S/C15H9N3O/c16-9-11-6-7-14-17-13(8-15(19)18(14)10-11)12-4-2-1-3-5-12/h1-8,10H
InChIKey JQWZRFQCLIJHQH-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801111
Molecular Weight 247.257 g/mol
Quality 114
Reported Formula C15H9N3O
SMILES C(C=1C=CC=2N(C(C=C(N2)C2=CC=CC=C2)=O)C1)#N
SPLASH splash10-014i-0190000000-0280e16dc1dba2f1539e
Source of Spectrum ACI-57-SM27-3la (DOI: 10.1002/anie.201801111)
Wiley ID 1892995