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Adipic acid, monoamide, N,N-dihexyl-, nonyl ester

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

Adipic acid, monoamide, N,N-dihexyl-, nonyl ester
SpectraBase Compound ID 95dfiIztfu6
InChI InChI=1S/C27H53NO3/c1-4-7-10-13-14-15-20-25-31-27(30)22-17-16-21-26(29)28(23-18-11-8-5-2)24-19-12-9-6-3/h4-25H2,1-3H3
InChIKey WAMOQXUDMKOZLB-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C27H53NO3
Exact Mass 439.402545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DBsUYeLkmsk
Name Adipic acid, monoamide, N,N-dihexyl-, nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.402544568 u
Formula C27H53NO3
InChI InChI=1S/C27H53NO3/c1-4-7-10-13-14-15-20-25-31-27(30)22-17-16-21-26(29)28(23-18-11-8-5-2)24-19-12-9-6-3/h4-25H2,1-3H3
InChIKey WAMOQXUDMKOZLB-UHFFFAOYSA-N
Molecular Weight 439.725 g/mol
SMILES CCCCCCCCCOC(CCCCC(=O)N(CCCCCC)CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969042