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1,1-Diphenyl-3-phenyl-7-cyano-1,4-dihydroisoquinolin-4-one
SpectraBase Compound ID 6zb43bh5IKa
InChI InChI=1S/C28H21NO2/c1-31-23-17-18-24-25(19-23)28(21-13-7-3-8-14-21,22-15-9-4-10-16-22)29-26(27(24)30)20-11-5-2-6-12-20/h2-19H,1H3
InChIKey FNQJQCCYGCWRQW-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C28H21NO2
Exact Mass 403.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsjWBrTn2gb
Name 1,1-Diphenyl-3-phenyl-7-cyano-1,4-dihydroisoquinolin-4-one
Alternate Name(s) 1,1,3-Triphenyl-7-methoxy-isoquinolin-4-one 1,1-Diphenyl-3-phenyl-7-methoxy-1,4-dihydroisoquinolin-4-one 7-Methoxy-1,1,3-triphenyl-4(1H)-isoquinolinone
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Formula C28H21NO2
InChI InChI=1S/C28H21NO2/c1-31-23-17-18-24-25(19-23)28(21-13-7-3-8-14-21,22-15-9-4-10-16-22)29-26(27(24)30)20-11-5-2-6-12-20/h2-19H,1H3
InChIKey FNQJQCCYGCWRQW-UHFFFAOYSA-N
Molecular Weight 403.481 g/mol
SMILES C1(N=C(C(c2ccc(cc12)OC)=O)c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0udi-0149200000-da5bd87bd5ddcf3b9c1a
Source of Spectrum Y4-91-377-6
Wiley ID 1550551