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Oxalic acid, monoamide, N,N-dihexyl-, isohexyl ester

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Oxalic acid, monoamide, N,N-dihexyl-, isohexyl ester
SpectraBase Compound ID JaZzGJaHzhI
InChI InChI=1S/C20H39NO3/c1-5-7-9-11-15-21(16-12-10-8-6-2)19(22)20(23)24-17-13-14-18(3)4/h18H,5-17H2,1-4H3
InChIKey JBDKQCUERBYQBU-UHFFFAOYSA-N
Mol Weight 341.5 g/mol
Molecular Formula C20H39NO3
Exact Mass 341.292994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4PUvjsgLViY
Name Oxalic acid, monoamide, N,N-dihexyl-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.292994117 u
Formula C20H39NO3
InChI InChI=1S/C20H39NO3/c1-5-7-9-11-15-21(16-12-10-8-6-2)19(22)20(23)24-17-13-14-18(3)4/h18H,5-17H2,1-4H3
InChIKey JBDKQCUERBYQBU-UHFFFAOYSA-N
Molecular Weight 341.536 g/mol
SMILES C(C(N(CCCCCC)CCCCCC)=O)(=O)OCCCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967165