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

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

Fumaric acid, monoamide, N-undecyl-, propyl ester
SpectraBase Compound ID IcFOTfFF9Fj
InChI InChI=1S/C18H33NO3/c1-3-5-6-7-8-9-10-11-12-15-19-17(20)13-14-18(21)22-16-4-2/h13-14H,3-12,15-16H2,1-2H3,(H,19,20)/b14-13+
InChIKey ULHOHJYGEGPIHG-BUHFOSPRSA-N
Mol Weight 311.5 g/mol
Molecular Formula C18H33NO3
Exact Mass 311.246044 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 873nCYKKCbl
Name Fumaric acid, monoamide, N-undecyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.246043924 u
Formula C18H33NO3
InChI InChI=1S/C18H33NO3/c1-3-5-6-7-8-9-10-11-12-15-19-17(20)13-14-18(21)22-16-4-2/h13-14H,3-12,15-16H2,1-2H3,(H,19,20)/b14-13+
InChIKey ULHOHJYGEGPIHG-BUHFOSPRSA-N
Molecular Weight 311.466 g/mol
SMILES C(NCCCCCCCCCCC)(\C=C\C(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878929