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Fumaric acid, monoamide, N,N-dioctyl-, pentyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N,N-dioctyl-, pentyl ester
SpectraBase Compound ID CxEGM9nu0Nq
InChI InChI=1S/C25H47NO3/c1-4-7-10-12-14-16-21-26(22-17-15-13-11-8-5-2)24(27)19-20-25(28)29-23-18-9-6-3/h19-20H,4-18,21-23H2,1-3H3/b20-19+
InChIKey YNKQSWXITXDCKA-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 G93WHdGiwr9
Name Fumaric acid, monoamide, N,N-dioctyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.355594374 u
Formula C25H47NO3
InChI InChI=1S/C25H47NO3/c1-4-7-10-12-14-16-21-26(22-17-15-13-11-8-5-2)24(27)19-20-25(28)29-23-18-9-6-3/h19-20H,4-18,21-23H2,1-3H3/b20-19+
InChIKey YNKQSWXITXDCKA-FMQUCBEESA-N
Molecular Weight 409.655 g/mol
SMILES C(\C=C\C(N(CCCCCCCC)CCCCCCCC)=O)(OCCCCC)=O