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3-Bromanyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-Bromanyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SpectraBase Compound ID Eq6zgXzhzuL
InChI InChI=1S/C16H14BrNO/c17-14-10-13(11-6-2-1-3-7-11)12-8-4-5-9-15(12)18-16(14)19/h1-9,13-14H,10H2,(H,18,19)
InChIKey DOGAHXMWNRIFMG-UHFFFAOYSA-N
Mol Weight 316.2 g/mol
Molecular Formula C16H14BrNO
Exact Mass 315.025877 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5beuvK0cLcr
Name 3-Bromanyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.025877074 u
Formula C16H14BrNO
InChI InChI=1S/C16H14BrNO/c17-14-10-13(11-6-2-1-3-7-11)12-8-4-5-9-15(12)18-16(14)19/h1-9,13-14H,10H2,(H,18,19)
InChIKey DOGAHXMWNRIFMG-UHFFFAOYSA-N
Molecular Weight 316.198 g/mol
SMILES C1(NC=2C(C(CC1Br)C=1C=CC=CC1)=CC=CC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946946