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2-(5-(Azepane-1-carbonyl)-1-(3-methoxypropyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyridin-3-yl)-N-(3-(dimethylamino)propyl)acetamide

View entire compound with spectra: 1 FTIR

2-(5-(Azepane-1-carbonyl)-1-(3-methoxypropyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyridin-3-yl)-N-(3-(dimethylamino)propyl)acetamide
SpectraBase Compound ID FkQO2PfUHj1
InChI InChI=1S/C24H42N4O4/c1-19-21(24(31)27-13-7-5-6-8-14-27)17-20(23(30)28(19)15-10-16-32-4)18-22(29)25-11-9-12-26(2)3/h20H,5-18H2,1-4H3,(H,25,29)
InChIKey QWIMQMJZSYQOHX-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C24H42N4O4
Exact Mass 450.320606 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID InTdxxS8Lnv
Name 2-(5-(Azepane-1-carbonyl)-1-(3-methoxypropyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyridin-3-yl)-N-(3-(dimethylamino)propyl)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.320605844 u
Formula C24H42N4O4
InChI InChI=1S/C24H42N4O4/c1-19-21(24(31)27-13-7-5-6-8-14-27)17-20(23(30)28(19)15-10-16-32-4)18-22(29)25-11-9-12-26(2)3/h20H,5-18H2,1-4H3,(H,25,29)
InChIKey QWIMQMJZSYQOHX-UHFFFAOYSA-N
Molecular Weight 450.624 g/mol
SMILES COCCCN1C(=C(CC(C1=O)CC(=O)NCCCN(C)C)C(=O)N1CCCCCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811319