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3-Bromanyl-9-methyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

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

3-Bromanyl-9-methyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SpectraBase Compound ID 2pNIdrCdFad
InChI InChI=1S/C17H16BrNO/c1-11-6-5-9-13-14(12-7-3-2-4-8-12)10-15(18)17(20)19-16(11)13/h2-9,14-15H,10H2,1H3,(H,19,20)
InChIKey QHYQMUUTHDSGSG-UHFFFAOYSA-N
Mol Weight 330.23 g/mol
Molecular Formula C17H16BrNO
Exact Mass 329.041527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3vch0LCEaQA
Name 3-Bromanyl-9-methyl-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 329.041527138 u
Formula C17H16BrNO
InChI InChI=1S/C17H16BrNO/c1-11-6-5-9-13-14(12-7-3-2-4-8-12)10-15(18)17(20)19-16(11)13/h2-9,14-15H,10H2,1H3,(H,19,20)
InChIKey QHYQMUUTHDSGSG-UHFFFAOYSA-N
Molecular Weight 330.225 g/mol
SMILES C1(NC=2C(C(CC1Br)C=1C=CC=CC1)=CC=CC2C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897253