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Glutaric acid, monoamide, N-dodecyl-, isohexyl ester

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

Glutaric acid, monoamide, N-dodecyl-, isohexyl ester
SpectraBase Compound ID 999gA7FhxFi
InChI InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-19-24-22(25)17-14-18-23(26)27-20-15-16-21(2)3/h21H,4-20H2,1-3H3,(H,24,25)
InChIKey KUOSBQGPXUHIEK-UHFFFAOYSA-N
Mol Weight 383.6 g/mol
Molecular Formula C23H45NO3
Exact Mass 383.339944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HnGAhs8wv5I
Name Glutaric acid, monoamide, N-dodecyl-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.339944310 u
Formula C23H45NO3
InChI InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-19-24-22(25)17-14-18-23(26)27-20-15-16-21(2)3/h21H,4-20H2,1-3H3,(H,24,25)
InChIKey KUOSBQGPXUHIEK-UHFFFAOYSA-N
Molecular Weight 383.617 g/mol
SMILES CC(C)CCCOC(CCCC(NCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92038