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

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

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SpectraBase Spectrum ID	2FEa96aRCy6
Name	N-[1-(2-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/c1-14-9-5-6-10-15(14)13-21-12-8-7-11-16(17(21)22)20-18(23)19(2,3)4/h5-6,9-10,16H,7-8,11-13H2,1-4H3,(H,20,23)
InChIKey	RNMHAXLQTPVQQN-UHFFFAOYSA-N
Molecular Weight	316.445 g/mol
SMILES	C(C(C)(C)C)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.912867