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4-bromanyl-N-(4-cyano-2-methyl-phenyl)-3-methyl-benzamide

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

4-bromanyl-N-(4-cyano-2-methyl-phenyl)-3-methyl-benzamide
SpectraBase Compound ID 7KCmzJyQXy3
InChI InChI=1S/C16H13BrN2O/c1-10-8-13(4-5-14(10)17)16(20)19-15-6-3-12(9-18)7-11(15)2/h3-8H,1-2H3,(H,19,20)
InChIKey JPMDYWTYNLNMMJ-UHFFFAOYSA-N
Mol Weight 329.2 g/mol
Molecular Formula C16H13BrN2O
Exact Mass 328.021126 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8kCxc3M62RW
Name 4-Bromanyl-N-(4-cyano-2-methyl-phenyl)-3-methyl-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.021126046 u
Formula C16H13BrN2O
InChI InChI=1S/C16H13BrN2O/c1-10-8-13(4-5-14(10)17)16(20)19-15-6-3-12(9-18)7-11(15)2/h3-8H,1-2H3,(H,19,20)
InChIKey JPMDYWTYNLNMMJ-UHFFFAOYSA-N
Molecular Weight 329.197 g/mol
SMILES C(C=1C=C(C(=CC1)Br)C)(=O)NC=1C(=CC(=CC1)C#N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823809