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Fumaric acid, monoamide, N-dodecyl-, butyl ester
SpectraBase Compound ID 6xMserGfvAs
InChI InChI=1S/C20H37NO3/c1-3-5-7-8-9-10-11-12-13-14-17-21-19(22)15-16-20(23)24-18-6-4-2/h15-16H,3-14,17-18H2,1-2H3,(H,21,22)/b16-15+
InChIKey FXAFNKMXEFSGDL-FOCLMDBBSA-N
Mol Weight 339.5 g/mol
Molecular Formula C20H37NO3
Exact Mass 339.277344 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 172zAxUKgac
Name Fumaric acid, monoamide, N-dodecyl-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.277344052 u
Formula C20H37NO3
InChI InChI=1S/C20H37NO3/c1-3-5-7-8-9-10-11-12-13-14-17-21-19(22)15-16-20(23)24-18-6-4-2/h15-16H,3-14,17-18H2,1-2H3,(H,21,22)/b16-15+
InChIKey FXAFNKMXEFSGDL-FOCLMDBBSA-N
Molecular Weight 339.520 g/mol
SMILES C(CCNC(\C=C\C(OCCCC)=O)=O)CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822574