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Oxalic acid, monoamide, N-(2-octyl)-, isobutyl ester

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

Oxalic acid, monoamide, N-(2-octyl)-, isobutyl ester
SpectraBase Compound ID GrVJr55usQz
InChI InChI=1S/C14H27NO3/c1-5-6-7-8-9-12(4)15-13(16)14(17)18-10-11(2)3/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKey NIVBYMUKECAFFC-UHFFFAOYSA-N
Mol Weight 257.37 g/mol
Molecular Formula C14H27NO3
Exact Mass 257.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KvTetSgQ9jd
Name Oxalic acid, monoamide, N-(2-octyl)-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.199093730 u
Formula C14H27NO3
InChI InChI=1S/C14H27NO3/c1-5-6-7-8-9-12(4)15-13(16)14(17)18-10-11(2)3/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKey NIVBYMUKECAFFC-UHFFFAOYSA-N
Molecular Weight 257.374 g/mol
SMILES CC(C)COC(C(=O)NC(CCCCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938917