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3-(4-Methylphenyl)-4-oxidanylidene-1,1-diphenyl-isoquinoline-7-carbonitrile
SpectraBase Compound ID 3ETxyk41RjP
InChI InChI=1S/C29H20N2O/c1-20-12-15-22(16-13-20)27-28(32)25-17-14-21(19-30)18-26(25)29(31-27,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18H,1H3
InChIKey ZASJCYWKUZQEGC-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C29H20N2O
Exact Mass 412.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJVVI3giR55
Name 3-(4-Methylphenyl)-4-oxidanylidene-1,1-diphenyl-isoquinoline-7-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H20N2O
InChI InChI=1S/C29H20N2O/c1-20-12-15-22(16-13-20)27-28(32)25-17-14-21(19-30)18-26(25)29(31-27,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18H,1H3
InChIKey ZASJCYWKUZQEGC-UHFFFAOYSA-N
Molecular Weight 412.492 g/mol
SMILES C1(N=C(C(c2ccc(cc12)C#N)=O)c1ccc(cc1)C)(c1ccccc1)c1ccccc1
SPLASH splash10-0002-0090100000-43687d1e2d62457f73b4
Source of Spectrum KC-1992-2323-8
Synonyms 3-(4-Methylphenyl)-4-oxo-1,1-diphenyl-7-isoquinolinecarbonitrile 3-(4-Methylphenyl)-4-oxo-1,1-diphenylisoquinoline-7-carbonitrile 4-keto-1,1-diphenyl-3-(p-tolyl)isoquinoline-7-carbonitrile 4-Oxo-1,1-diphenyl-3-(p-tolyl)isoquinoline-7-carbonitrile
Wiley ID 776797