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Oxalic acid, monoamide, N,N-bis(2-ethylhexyl)-, isohexyl ester

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

Oxalic acid, monoamide, N,N-bis(2-ethylhexyl)-, isohexyl ester
SpectraBase Compound ID FjPYsX2YXbn
InChI InChI=1S/C24H47NO3/c1-7-11-15-21(9-3)18-25(19-22(10-4)16-12-8-2)23(26)24(27)28-17-13-14-20(5)6/h20-22H,7-19H2,1-6H3
InChIKey JNKFCPWSEUHJNH-UHFFFAOYSA-N
Mol Weight 397.6 g/mol
Molecular Formula C24H47NO3
Exact Mass 397.355594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GqessDzEwP9
Name Oxalic acid, monoamide, N,N-bis(2-ethylhexyl)-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.355594374 u
Formula C24H47NO3
InChI InChI=1S/C24H47NO3/c1-7-11-15-21(9-3)18-25(19-22(10-4)16-12-8-2)23(26)24(27)28-17-13-14-20(5)6/h20-22H,7-19H2,1-6H3
InChIKey JNKFCPWSEUHJNH-UHFFFAOYSA-N
Molecular Weight 397.644 g/mol
SMILES C(C(N(CC(CC)CCCC)CC(CCCC)CC)=O)(=O)OCCCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895505