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N-[1-(4-Bromophenyl)ethyl]-3-methylbenzamide

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

N-[1-(4-Bromophenyl)ethyl]-3-methylbenzamide
SpectraBase Compound ID HmAn9YYT7eN
InChI InChI=1S/C16H16BrNO/c1-11-4-3-5-14(10-11)16(19)18-12(2)13-6-8-15(17)9-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKey YYFGEQGWPMGWOU-UHFFFAOYSA-N
Mol Weight 318.21 g/mol
Molecular Formula C16H16BrNO
Exact Mass 317.041527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DSAnOS0Ce9N
Name N-[1-(4-Bromophenyl)ethyl]-3-methylbenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.041527138 u
Formula C16H16BrNO
InChI InChI=1S/C16H16BrNO/c1-11-4-3-5-14(10-11)16(19)18-12(2)13-6-8-15(17)9-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKey YYFGEQGWPMGWOU-UHFFFAOYSA-N
Molecular Weight 318.214 g/mol
SMILES C(NC(C1=CC=C(C=C1)Br)C)(C=1C=C(C=CC1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913348