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4-(3-benzyl-2-keto-4H-quinazolin-1-yl)benzonitrile
SpectraBase Compound ID IYXZsaRD3SZ
InChI InChI=1S/C22H17N3O/c23-14-17-10-12-20(13-11-17)25-21-9-5-4-8-19(21)16-24(22(25)26)15-18-6-2-1-3-7-18/h1-13H,15-16H2
InChIKey ZZCHBVXDKDSNMJ-UHFFFAOYSA-N
Mol Weight 339.4 g/mol
Molecular Formula C22H17N3O
Exact Mass 339.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jEMoyMfubd
Name 4-(3-benzyl-2-keto-4H-quinazolin-1-yl)benzonitrile
Alternate Name(s) 4-(3-benzyl-2-oxo-4H-quinazolin-1-yl)benzonitrile 4-[2-oxidanylidene-3-(phenylmethyl)-4H-quinazolin-1-yl]benzenecarbonitrile 4-[2-oxo-3-(phenylmethyl)-4H-quinazolin-1-yl]benzonitrile
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Formula C22H17N3O
InChI InChI=1S/C22H17N3O/c23-14-17-10-12-20(13-11-17)25-21-9-5-4-8-19(21)16-24(22(25)26)15-18-6-2-1-3-7-18/h1-13H,15-16H2
InChIKey ZZCHBVXDKDSNMJ-UHFFFAOYSA-N
Molecular Weight 339.398 g/mol
SMILES C(c1ccc(cc1)N1C(N(Cc2ccccc12)Cc1ccccc1)=O)#N
SPLASH splash10-0a4m-3091000000-9ff81f2745ae40d76db4
Source of Spectrum CV-2003-1385-3
Wiley ID 1611093