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

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Fumaric acid, monoamide, N,N-dinonyl-, propyl ester
SpectraBase Compound ID F3L2wDWQqdB
InChI InChI=1S/C25H47NO3/c1-4-7-9-11-13-15-17-21-26(22-18-16-14-12-10-8-5-2)24(27)19-20-25(28)29-23-6-3/h19-20H,4-18,21-23H2,1-3H3/b20-19+
InChIKey WDEZBMUEZAIKRB-FMQUCBEESA-N
Mol Weight 409.7 g/mol
Molecular Formula C25H47NO3
Exact Mass 409.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FfIAnWnih9
Name Fumaric acid, monoamide, N,N-dinonyl-, propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.355594374 u
Formula C25H47NO3
InChI InChI=1S/C25H47NO3/c1-4-7-9-11-13-15-17-21-26(22-18-16-14-12-10-8-5-2)24(27)19-20-25(28)29-23-6-3/h19-20H,4-18,21-23H2,1-3H3/b20-19+
InChIKey WDEZBMUEZAIKRB-FMQUCBEESA-N
Molecular Weight 409.655 g/mol
SMILES C(CCCN(C(\C=C\C(=O)OCCC)=O)CCCCCCCCC)CCCCC