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N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]pivalamide

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

N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]pivalamide
SpectraBase Compound ID GBldYf6KXUk
InChI InChI=1S/C19H28N2O2/c1-14-8-10-15(11-9-14)13-21-12-6-5-7-16(17(21)22)20-18(23)19(2,3)4/h8-11,16H,5-7,12-13H2,1-4H3,(H,20,23)
InChIKey AIQZDPXKQOUXOB-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 31sjbZBgkuu
Name N-[1-(4-Methylbenzyl)-2-oxoazepan-3-yl]pivalamide
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/c1-14-8-10-15(11-9-14)13-21-12-6-5-7-16(17(21)22)20-18(23)19(2,3)4/h8-11,16H,5-7,12-13H2,1-4H3,(H,20,23)
InChIKey AIQZDPXKQOUXOB-UHFFFAOYSA-N
Molecular Weight 316.445 g/mol
SMILES C(C(C)(C)C)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893568