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

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4-dimethylpent-3-yl eicosyl ester
SpectraBase Compound ID BmHkV8BYkku
InChI InChI=1S/C31H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-34-29(32)24-25-30(33)35-31(27(2)3)28(4)5/h24-25,27-28,31H,6-23,26H2,1-5H3/b25-24+
InChIKey BFPSTMGFNSVCDS-OCOZRVBESA-N
Mol Weight 494.8 g/mol
Molecular Formula C31H58O4
Exact Mass 494.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JeGaUy8LYn
Name Fumaric acid, 2,4-dimethylpent-3-yl eicosyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.433510344 u
Formula C31H58O4
InChI InChI=1S/C31H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-34-29(32)24-25-30(33)35-31(27(2)3)28(4)5/h24-25,27-28,31H,6-23,26H2,1-5H3/b25-24+
InChIKey BFPSTMGFNSVCDS-OCOZRVBESA-N
Molecular Weight 494.801 g/mol
SMILES C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCCCCCCCCCCCCCC)=O)=O