2-Benzoyl-1-[(naphth-1'-yl)methyl]-1,2-dihydroisoquinoline-1-carbonitrile

SpectraBase Compound ID	1fjmmogzSAe
InChI	InChI=1S/C28H20N2O/c29-20-28(19-24-14-8-13-21-9-4-6-15-25(21)24)26-16-7-5-10-22(26)17-18-30(28)27(31)23-11-2-1-3-12-23/h1-18H,19H2
InChIKey	MHIZMEUEODSDCS-UHFFFAOYSA-N Google Search
Mol Weight	400.48 g/mol
Molecular Formula	C28H20N2O
Exact Mass	400.157563 g/mol

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SpectraBase Spectrum ID	K5xljJrW7wQ
Name	2-Benzoyl-1-[(naphth-1'-yl)methyl]-1,2-dihydroisoquinoline-1-carbonitrile
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	400.157563271 u
Formula	C28H20N2O
InChI	InChI=1S/C28H20N2O/c29-20-28(19-24-14-8-13-21-9-4-6-15-25(21)24)26-16-7-5-10-22(26)17-18-30(28)27(31)23-11-2-1-3-12-23/h1-18H,19H2
InChIKey	MHIZMEUEODSDCS-UHFFFAOYSA-N
Molecular Weight	400.481 g/mol
SMILES	C1(N(C(=O)C2=CC=CC=C2)C=CC2=C1C=CC=C2)(CC1=C2C(C=CC=C2)=CC=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.902676