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4(1H)-Isoquinolinone, 3-(4-methylphenyl)-1,1-diphenyl-
SpectraBase Compound ID 3A1lA5it0ea
InChI InChI=1S/C28H21NO/c1-20-16-18-21(19-17-20)26-27(30)24-14-8-9-15-25(24)28(29-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3
InChIKey ZJZFGYBKUQCSEQ-UHFFFAOYSA-N
Mol Weight 387.48 g/mol
Molecular Formula C28H21NO
Exact Mass 387.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6p76Tzo3To6
Name 4(1H)-Isoquinolinone, 3-(4-methylphenyl)-1,1-diphenyl-
Alternate Name(s) 3-(4-Methylphenyl)-1,1-diphenyl-4-isoquinolinone 3-(4-Methylphenyl)-1,1-diphenylisoquinolin-4-one 3-(4-Methylphenyl)-1,1-diphenyl-isoquinolin-4-one
CAS Registry Number 102301-79-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21NO
InChI InChI=1S/C28H21NO/c1-20-16-18-21(19-17-20)26-27(30)24-14-8-9-15-25(24)28(29-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3
InChIKey ZJZFGYBKUQCSEQ-UHFFFAOYSA-N
Molecular Weight 387.482 g/mol
SMILES C1(N=C(C(c2ccccc12)=O)c1ccc(cc1)C)(c1ccccc1)c1ccccc1
SPLASH splash10-00di-0091000000-1f54035ad7e811967f6b
Source of Spectrum KC-1989-1346-7
Wiley ID 1363512