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7-Isoquinolinecarbonitrile, 3-(4-cyanophenyl)-1,4-dihydro-4-oxo-1,1-diphenyl-
SpectraBase Compound ID 91oEMZZIDLf
InChI InChI=1S/C29H17N3O/c30-18-20-11-14-22(15-12-20)27-28(33)25-16-13-21(19-31)17-26(25)29(32-27,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-17H
InChIKey CQJRLPIPHFKJBH-UHFFFAOYSA-N
Mol Weight 423.48 g/mol
Molecular Formula C29H17N3O
Exact Mass 423.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HkC09GP1Wc
Name 7-Isoquinolinecarbonitrile, 3-(4-cyanophenyl)-1,4-dihydro-4-oxo-1,1-diphenyl-
CAS Registry Number 124067-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H17N3O
InChI InChI=1S/C29H17N3O/c30-18-20-11-14-22(15-12-20)27-28(33)25-16-13-21(19-31)17-26(25)29(32-27,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-17H
InChIKey CQJRLPIPHFKJBH-UHFFFAOYSA-N
Molecular Weight 423.475 g/mol
SMILES C1(N=C(C(c2ccc(cc12)C#N)=O)c1ccc(C#N)cc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0002-0950400000-5d64e54885d5045910cb
Source of Spectrum KC-1989-1346-7
Synonyms 3-(4-cyanophenyl)-4-oxo-1,1-diphenyl-1,4-dihydro-7-isoquinolinecarbonitrile 7-Cyano-3-(p-cyanophenyl)-1,1-diphenylisoquinolin-4(1H)-one
Wiley ID 1379013