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Fumaric acid, monoamide, N-undecyl-, isobutyl ester

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

Fumaric acid, monoamide, N-undecyl-, isobutyl ester
SpectraBase Compound ID AUw2GRBCgED
InChI InChI=1S/C19H35NO3/c1-4-5-6-7-8-9-10-11-12-15-20-18(21)13-14-19(22)23-16-17(2)3/h13-14,17H,4-12,15-16H2,1-3H3,(H,20,21)/b14-13+
InChIKey SQUMQKLJJCHVOS-BUHFOSPRSA-N
Mol Weight 325.5 g/mol
Molecular Formula C19H35NO3
Exact Mass 325.261694 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BxHCNT4TPvs
Name Fumaric acid, monoamide, N-undecyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.261693988 u
Formula C19H35NO3
InChI InChI=1S/C19H35NO3/c1-4-5-6-7-8-9-10-11-12-15-20-18(21)13-14-19(22)23-16-17(2)3/h13-14,17H,4-12,15-16H2,1-3H3,(H,20,21)/b14-13+
InChIKey SQUMQKLJJCHVOS-BUHFOSPRSA-N
Molecular Weight 325.493 g/mol
SMILES C(CNC(\C=C\C(OCC(C)C)=O)=O)CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861103