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Fumaric acid, 2,4-dimethylpent-3-yl octadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4-dimethylpent-3-yl octadecyl ester
SpectraBase Compound ID B7kD0trrYuw
InChI InChI=1S/C29H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-27(30)22-23-28(31)33-29(25(2)3)26(4)5/h22-23,25-26,29H,6-21,24H2,1-5H3/b23-22+
InChIKey DVTMOXKNWRFYKI-GHVJWSGMSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPFIVEMJJRB
Name Fumaric acid, 2,4-dimethylpent-3-yl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-27(30)22-23-28(31)33-29(25(2)3)26(4)5/h22-23,25-26,29H,6-21,24H2,1-5H3/b23-22+
InChIKey DVTMOXKNWRFYKI-GHVJWSGMSA-N
Molecular Weight 466.747 g/mol
SMILES C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O