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2-[Cyano(methoxycarbonyl)methylene]-1,2-dihydro-4(3H)-quinazolinone
SpectraBase Compound ID GEd8ziQB6cG
InChI InChI=1S/C12H9N3O3/c1-18-12(17)8(6-13)10-14-9-5-3-2-4-7(9)11(16)15-10/h2-5,14H,1H3,(H,15,16)/b10-8-
InChIKey BHUBORNZYROFKZ-NTMALXAHSA-N
Mol Weight 243.22 g/mol
Molecular Formula C12H9N3O3
Exact Mass 243.064391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85n1kFMAWo2
Name 2-[Cyano(methoxycarbonyl)methylene]-1,2-dihydro-4(3H)-quinazolinone
Alternate Name(s) Methyl (2Z)-cyano(4-oxo-3,4-dihydro-2(1H)-quinazolinylidene)ethanoate
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Formula C12H9N3O3
InChI InChI=1S/C12H9N3O3/c1-18-12(17)8(6-13)10-14-9-5-3-2-4-7(9)11(16)15-10/h2-5,14H,1H3,(H,15,16)/b10-8-
InChIKey BHUBORNZYROFKZ-NTMALXAHSA-N
Molecular Weight 243.222 g/mol
SMILES N1C(c2c(cccc2)N\C1=C/(C(=O)OC)C#N)=O
SPLASH splash10-03dl-0290000000-581e09a5426a48b23a11
Source of Spectrum SK-26-479-3
Wiley ID 866994