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Butanamide, N-[4-(acetylamino)phenyl]-2-bromo-

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Butanamide, N-[4-(acetylamino)phenyl]-2-bromo-
SpectraBase Compound ID 1L3Bmch5P8i
InChI InChI=1S/C12H15BrN2O2/c1-3-11(13)12(17)15-10-6-4-9(5-7-10)14-8(2)16/h4-7,11H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKey MCBNOAMRHNYHSC-UHFFFAOYSA-N
Mol Weight 299.17 g/mol
Molecular Formula C12H15BrN2O2
Exact Mass 298.031691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C77IPjR2KSp
Name Butanamide, N-[4-(acetylamino)phenyl]-2-bromo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.031690729 u
Formula C12H15BrN2O2
InChI InChI=1S/C12H15BrN2O2/c1-3-11(13)12(17)15-10-6-4-9(5-7-10)14-8(2)16/h4-7,11H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKey MCBNOAMRHNYHSC-UHFFFAOYSA-N
Molecular Weight 299.168 g/mol
SMILES C=1C(=CC=C(NC(C(CC)Br)=O)C1)NC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906321