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2-Butenamide, N-(4-bromophenyl)-3-methyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Butenamide, N-(4-bromophenyl)-3-methyl-
SpectraBase Compound ID AKHGInoI0sM
InChI InChI=1S/C11H12BrNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,14)
InChIKey BJPQRVCCAISNSI-UHFFFAOYSA-N
Mol Weight 254.13 g/mol
Molecular Formula C11H12BrNO
Exact Mass 253.010227 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JanhCr9T27T
Name 2-Butenamide, N-(4-bromophenyl)-3-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.010227009 u
Formula C11H12BrNO
InChI InChI=1S/C11H12BrNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,14)
InChIKey BJPQRVCCAISNSI-UHFFFAOYSA-N
Molecular Weight 254.127 g/mol
SMILES CC(C)=CC(NC=1C=CC(=CC1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93133