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Fumaric acid, 6-ethyloct-3-yl undecyl ester

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

Fumaric acid, 6-ethyloct-3-yl undecyl ester
SpectraBase Compound ID FabYEUjBosE
InChI InChI=1S/C25H46O4/c1-5-9-10-11-12-13-14-15-16-21-28-24(26)19-20-25(27)29-23(8-4)18-17-22(6-2)7-3/h19-20,22-23H,5-18,21H2,1-4H3/b20-19+
InChIKey CKGNDJXWPNRAOZ-FMQUCBEESA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51ebr7k1IaF
Name Fumaric acid, 6-ethyloct-3-yl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.339609957 u
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-5-9-10-11-12-13-14-15-16-21-28-24(26)19-20-25(27)29-23(8-4)18-17-22(6-2)7-3/h19-20,22-23H,5-18,21H2,1-4H3/b20-19+
InChIKey CKGNDJXWPNRAOZ-FMQUCBEESA-N
Molecular Weight 410.639 g/mol
SMILES C(CCCCOC(\C=C\C(OC(CCC(CC)CC)CC)=O)=O)CCCCCC