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4-(5-Methoxy-3,3-diphenyl-isoindol-1-yl)carbonylbenzenecarbonitrile
SpectraBase Compound ID IAXD7Hx8hna
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(25)28(32)21-14-12-20(19-30)13-15-21/h2-18H,1H3
InChIKey JAIAORPKFNXALT-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 LU2q5FrPo0U
Name 4-(5-Methoxy-3,3-diphenyl-isoindol-1-yl)carbonylbenzenecarbonitrile
Alternate Name(s) 4-(5-Methoxy-3,3-diphenyl-isoindole-1-carbonyl)benzonitrile 4-[(5-methoxy-3,3-diphenyl-1-isoindolyl)-oxomethyl]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(25)28(32)21-14-12-20(19-30)13-15-21/h2-18H,1H3
InChIKey JAIAORPKFNXALT-UHFFFAOYSA-N
Molecular Weight 428.491 g/mol
SMILES C1(=NC(c2cc(ccc12)OC)(c1ccccc1)c1ccccc1)C(c1ccc(C#N)cc1)=O
SPLASH splash10-0032-0490600000-74e66e49ad22849dc705
Source of Spectrum KC-1992-2323-9
Wiley ID 776796