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

SpectraBase Compound ID	Dorl4rmY8J5
InChI	InChI=1S/C21H32N2O2/c1-3-4-5-6-14-20(24)22-19-13-9-10-15-23(21(19)25)16-18-12-8-7-11-17(18)2/h7-8,11-12,19H,3-6,9-10,13-16H2,1-2H3,(H,22,24)
InChIKey	GTUNPWXUMMNXTI-UHFFFAOYSA-N Google Search
Mol Weight	344.5 g/mol
Molecular Formula	C21H32N2O2
Exact Mass	344.246378 g/mol

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SpectraBase Spectrum ID	JxHG4X4pHZb
Name	N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]heptanamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	344.246378276 u
Formula	C21H32N2O2
InChI	InChI=1S/C21H32N2O2/c1-3-4-5-6-14-20(24)22-19-13-9-10-15-23(21(19)25)16-18-12-8-7-11-17(18)2/h7-8,11-12,19H,3-6,9-10,13-16H2,1-2H3,(H,22,24)
InChIKey	GTUNPWXUMMNXTI-UHFFFAOYSA-N
Molecular Weight	344.499 g/mol
SMILES	C(CCCCCC)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.894499