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Fumaric acid, 2-ethylbutyl pentadecyl ester

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

Fumaric acid, 2-ethylbutyl pentadecyl ester
SpectraBase Compound ID 9qC6ENudINP
InChI InChI=1S/C25H46O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-28-24(26)19-20-25(27)29-22-23(5-2)6-3/h19-20,23H,4-18,21-22H2,1-3H3/b20-19+
InChIKey CMZVHLQNNLLAKO-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 4DoYvmwikFh
Name Fumaric acid, 2-ethylbutyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.339609957 u
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-28-24(26)19-20-25(27)29-22-23(5-2)6-3/h19-20,23H,4-18,21-22H2,1-3H3/b20-19+
InChIKey CMZVHLQNNLLAKO-FMQUCBEESA-N
Molecular Weight 410.639 g/mol
SMILES CCC(CC)COC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O