1,1,2-Triphenyl-1,7b-dihydocyclopropa[c]isoquinoline isomer

SpectraBase Compound ID	3MYhbjNQUTe
InChI	InChI=1S/C28H21N/c1-4-13-22(14-5-1)27(23-15-6-2-7-16-23)26-25-19-11-10-12-21(25)20-29-28(26,27)24-17-8-3-9-18-24/h1-20,26H
InChIKey	FMRMGIWDHVGXKC-UHFFFAOYSA-N Google Search
Mol Weight	371.48 g/mol
Molecular Formula	C28H21N
Exact Mass	371.1674 g/mol

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SpectraBase Spectrum ID	LFOlzXoLC4
Name	1,1,2-Triphenyl-1,7B-dihydocyclopropa[C]isoquinoline isomer
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	371.167399680 u
Formula	C28H21N
InChI	InChI=1S/C28H21N/c1-4-13-22(14-5-1)27(23-15-6-2-7-16-23)26-25-19-11-10-12-21(25)20-29-28(26,27)24-17-8-3-9-18-24/h1-20,26H
InChIKey	FMRMGIWDHVGXKC-UHFFFAOYSA-N
Molecular Weight	371.483 g/mol
SMILES	C12(C(C3=CC=CC=C3)(C3=CC=CC=C3)C2C=2C=CC=CC2C=N1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.981056