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Fumaric acid, dec-4-enyl pentadecyl ester

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Fumaric acid, dec-4-enyl pentadecyl ester
SpectraBase Compound ID 3NFPfRtBjEP
InChI InChI=1S/C29H52O4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-27-33-29(31)25-24-28(30)32-26-22-20-18-12-10-8-6-4-2/h12,18,24-25H,3-11,13-17,19-23,26-27H2,1-2H3/b18-12+,25-24+
InChIKey JLNIANBOPCTTQD-GJNRJIMPSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zK0JJ7XRty
Name Fumaric acid, dec-4-enyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-27-33-29(31)25-24-28(30)32-26-22-20-18-12-10-8-6-4-2/h12,18,24-25H,3-11,13-17,19-23,26-27H2,1-2H3/b18-12+,25-24+
InChIKey JLNIANBOPCTTQD-GJNRJIMPSA-N
Molecular Weight 464.731 g/mol
SMILES C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O