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2-Methyl-N-(2-oxo-1-pentylazepan-3-yl)benzamide

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

2-Methyl-N-(2-oxo-1-pentylazepan-3-yl)benzamide
SpectraBase Compound ID 3OXNyuceoEZ
InChI InChI=1S/C19H28N2O2/c1-3-4-8-13-21-14-9-7-12-17(19(21)23)20-18(22)16-11-6-5-10-15(16)2/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3,(H,20,22)
InChIKey DQIGYFHJGZGWEI-UHFFFAOYSA-N
Mol Weight 316.45 g/mol
Molecular Formula C19H28N2O2
Exact Mass 316.215078 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AAagXneQ1wY
Name 2-Methyl-N-(2-oxo-1-pentylazepan-3-yl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.215078148 u
Formula C19H28N2O2
InChI InChI=1S/C19H28N2O2/c1-3-4-8-13-21-14-9-7-12-17(19(21)23)20-18(22)16-11-6-5-10-15(16)2/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3,(H,20,22)
InChIKey DQIGYFHJGZGWEI-UHFFFAOYSA-N
Molecular Weight 316.445 g/mol
SMILES C(C1=C(C=CC=C1)C)(=O)NC1C(N(CCCC1)CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959334