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Oxalic acid, monoamide, N-(2-ethylhexyl)-, propyl ester

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

Oxalic acid, monoamide, N-(2-ethylhexyl)-, propyl ester
SpectraBase Compound ID EDYdZRHJaCy
InChI InChI=1S/C13H25NO3/c1-4-7-8-11(6-3)10-14-12(15)13(16)17-9-5-2/h11H,4-10H2,1-3H3,(H,14,15)
InChIKey HVGHMJSEDJEQQI-UHFFFAOYSA-N
Mol Weight 243.35 g/mol
Molecular Formula C13H25NO3
Exact Mass 243.183444 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6ifM7mERozH
Name Oxalic acid, monoamide, N-(2-ethylhexyl)-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.183443666 u
Formula C13H25NO3
InChI InChI=1S/C13H25NO3/c1-4-7-8-11(6-3)10-14-12(15)13(16)17-9-5-2/h11H,4-10H2,1-3H3,(H,14,15)
InChIKey HVGHMJSEDJEQQI-UHFFFAOYSA-N
Molecular Weight 243.347 g/mol
SMILES CCCOC(C(=O)NCC(CCCC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853982