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N,N',N''-Tripentyl-1,3,5-benzene-tricarboxamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N,N',N''-Tripentyl-1,3,5-benzene-tricarboxamide
SpectraBase Compound ID 6rBjgGAYNBT
InChI InChI=1S/C24H39N3O3/c1-4-7-10-13-25-22(28)19-16-20(23(29)26-14-11-8-5-2)18-21(17-19)24(30)27-15-12-9-6-3/h16-18H,4-15H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKey TWRDREKMBUKWHH-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C24H39N3O3
Exact Mass 417.299142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 28b1NNoMdzO
Name N,N',N''-Tripentyl-1,3,5-benzene-tricarboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.299142125 u
Formula C24H39N3O3
InChI InChI=1S/C24H39N3O3/c1-4-7-10-13-25-22(28)19-16-20(23(29)26-14-11-8-5-2)18-21(17-19)24(30)27-15-12-9-6-3/h16-18H,4-15H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKey TWRDREKMBUKWHH-UHFFFAOYSA-N
Molecular Weight 417.594 g/mol
SMILES C=1(C(=O)NCCCCC)C=C(C(=O)NCCCCC)C=C(C1)C(=O)NCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933338