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Fumaric acid, 2-methylcyclohexyl octadecyl ester

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

Fumaric acid, 2-methylcyclohexyl octadecyl ester
SpectraBase Compound ID 5rHwUcauiq0
InChI InChI=1S/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-32-28(30)23-24-29(31)33-27-22-19-18-21-26(27)2/h23-24,26-27H,3-22,25H2,1-2H3/b24-23+
InChIKey MSZYCQCJQIPSIW-WCWDXBQESA-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 AD1ljVqeVZo
Name Fumaric acid, 2-methylcyclohexyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-32-28(30)23-24-29(31)33-27-22-19-18-21-26(27)2/h23-24,26-27H,3-22,25H2,1-2H3/b24-23+
InChIKey MSZYCQCJQIPSIW-WCWDXBQESA-N
Molecular Weight 464.731 g/mol
SMILES C1(C(CCCC1)OC(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O)C