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3,4-Diphenyl-1H-benzo[c]azepine
SpectraBase Compound ID HUklgldMWlZ
InChI InChI=1S/C22H17N/c1-3-9-17(10-4-1)21-15-19-13-7-8-14-20(19)16-23-22(21)18-11-5-2-6-12-18/h1-15H,16H2
InChIKey KLJYTKUUPIREDM-UHFFFAOYSA-N
Mol Weight 295.38 g/mol
Molecular Formula C22H17N
Exact Mass 295.1361 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9cSXc1F7Yfp
Name 3,4-Diphenyl-1H-benzo[C]azepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.136099551 u
Formula C22H17N
InChI InChI=1S/C22H17N/c1-3-9-17(10-4-1)21-15-19-13-7-8-14-20(19)16-23-22(21)18-11-5-2-6-12-18/h1-15H,16H2
InChIKey KLJYTKUUPIREDM-UHFFFAOYSA-N
SMILES C=1(C(=NCC2=C(C1)C=CC=C2)C=1C=CC=CC1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97861