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2-(2-bromanylphenoxy)-N-(4-ethanoylphenyl)ethanamide

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

2-(2-bromanylphenoxy)-N-(4-ethanoylphenyl)ethanamide
SpectraBase Compound ID JM9gyl06Z6x
InChI InChI=1S/C16H14BrNO3/c1-11(19)12-6-8-13(9-7-12)18-16(20)10-21-15-5-3-2-4-14(15)17/h2-9H,10H2,1H3,(H,18,20)
InChIKey WWIQKBRAQVPKKT-UHFFFAOYSA-N
Mol Weight 348.2 g/mol
Molecular Formula C16H14BrNO3
Exact Mass 347.015706 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7gk7Gd1HZJI
Name 2-(2-Bromanylphenoxy)-N-(4-ethanoylphenyl)ethanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.015706312 u
Formula C16H14BrNO3
InChI InChI=1S/C16H14BrNO3/c1-11(19)12-6-8-13(9-7-12)18-16(20)10-21-15-5-3-2-4-14(15)17/h2-9H,10H2,1H3,(H,18,20)
InChIKey WWIQKBRAQVPKKT-UHFFFAOYSA-N
Molecular Weight 348.196 g/mol
SMILES C(NC1=CC=C(C(=O)C)C=C1)(=O)COC1=C(Br)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954445