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6-Isoquinolinecarbonitrile, 1,4-dihydro-4-oxo-1,1,3-triphenyl-
SpectraBase Compound ID H8m6ZmeAqld
InChI InChI=1S/C28H18N2O/c29-19-20-16-17-25-24(18-20)27(31)26(21-10-4-1-5-11-21)30-28(25,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H
InChIKey IPSRKZRIBMTRDM-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C28H18N2O
Exact Mass 398.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlNkzA0YQoD
Name 6-Isoquinolinecarbonitrile, 1,4-dihydro-4-oxo-1,1,3-triphenyl-
Alternate Name(s) 4-Oxo-1,1,3-triphenyl-1,4-dihydro-6-isoquinolinecarbonitrile 6-Cyano-1,1,3-triphenylisoquinolin-4(1H)-one
CAS Registry Number 124067-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H18N2O
InChI InChI=1S/C28H18N2O/c29-19-20-16-17-25-24(18-20)27(31)26(21-10-4-1-5-11-21)30-28(25,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H
InChIKey IPSRKZRIBMTRDM-UHFFFAOYSA-N
Molecular Weight 398.465 g/mol
SMILES C1(N=C(C(c2cc(ccc12)C#N)=O)c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0002-3192000000-e78cbb3def798ea65115
Source of Spectrum KC-1989-1346-7
Wiley ID 1368713