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Fumaric acid, eicosyl 3-methylbut-2-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, eicosyl 3-methylbut-2-yl ester
SpectraBase Compound ID C3mV2UOs5Yt
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28(30)23-24-29(31)33-27(4)26(2)3/h23-24,26-27H,5-22,25H2,1-4H3/b24-23+
InChIKey LGWZJUAPFJXRPL-WCWDXBQESA-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 BNGMr4UU9zR
Name Fumaric acid, eicosyl 3-methylbut-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28(30)23-24-29(31)33-27(4)26(2)3/h23-24,26-27H,5-22,25H2,1-4H3/b24-23+
InChIKey LGWZJUAPFJXRPL-WCWDXBQESA-N
Molecular Weight 466.747 g/mol
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCCCCCCCCCCCCC)=O