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1-Phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

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1-Phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SpectraBase Compound ID LcVQObdsV9
InChI InChI=1S/C16H17N/c1-2-6-13(7-3-1)16-12-17-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2
InChIKey MEXPXLPUVFBQGJ-UHFFFAOYSA-N
Mol Weight 223.32 g/mol
Molecular Formula C16H17N
Exact Mass 223.1361 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6o3IBVIYJP
Name 1-Phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.136099551 u
Formula C16H17N
InChI InChI=1S/C16H17N/c1-2-6-13(7-3-1)16-12-17-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2
InChIKey MEXPXLPUVFBQGJ-UHFFFAOYSA-N
Molecular Weight 223.319 g/mol
SMILES C1NCCC2=C(C1C1=CC=CC=C1)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967033