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4-(4-keto-7-methoxy-1,1-diphenyl-3-isoquinolyl)benzonitrile
SpectraBase Compound ID Furp4bYhx48
InChI InChI=1S/C29H20N2O2/c1-33-24-16-17-25-26(18-24)29(22-8-4-2-5-9-22,23-10-6-3-7-11-23)31-27(28(25)32)21-14-12-20(19-30)13-15-21/h2-18H,1H3
InChIKey CVQPCFGDFLIRFM-UHFFFAOYSA-N
Mol Weight 428.49 g/mol
Molecular Formula C29H20N2O2
Exact Mass 428.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hSWQOcp7qh
Name 4-(4-keto-7-methoxy-1,1-diphenyl-3-isoquinolyl)benzonitrile
Alternate Name(s) 4-(7-Methoxy-4-oxidanylidene-1,1-diphenyl-isoquinolin-3-yl)benzenecarbonitrile 4-(7-Methoxy-4-oxo-1,1-diphenyl-3-isoquinolinyl)benzonitrile 4-(7-Methoxy-4-oxo-1,1-diphenyl-3-isoquinolyl)benzonitrile 4-(7-Methoxy-4-oxo-1,1-diphenylisoquinolin-3-yl)benzonitrile
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Formula C29H20N2O2
InChI InChI=1S/C29H20N2O2/c1-33-24-16-17-25-26(18-24)29(22-8-4-2-5-9-22,23-10-6-3-7-11-23)31-27(28(25)32)21-14-12-20(19-30)13-15-21/h2-18H,1H3
InChIKey CVQPCFGDFLIRFM-UHFFFAOYSA-N
Molecular Weight 428.491 g/mol
SMILES C1(N=C(C(c2ccc(cc12)OC)=O)c1ccc(C#N)cc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0ufr-0129500000-36fd68e0733e0a8a60d2
Source of Spectrum KC-1992-2323-8
Wiley ID 776798