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Fumaric acid, hexadecyl 2-methyl-4-methoxybutyl ester

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

Fumaric acid, hexadecyl 2-methyl-4-methoxybutyl ester
SpectraBase Compound ID 6lsRDp6LM1f
InChI InChI=1S/C26H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-25(27)18-19-26(28)31-23-24(2)20-22-29-3/h18-19,24H,4-17,20-23H2,1-3H3/b19-18+
InChIKey XPAJKTVQRMIKOZ-VHEBQXMUSA-N
Mol Weight 440.7 g/mol
Molecular Formula C26H48O5
Exact Mass 440.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxTieL5wRDH
Name Fumaric acid, hexadecyl 2-methyl-4-methoxybutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.350174641 u
Formula C26H48O5
InChI InChI=1S/C26H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-25(27)18-19-26(28)31-23-24(2)20-22-29-3/h18-19,24H,4-17,20-23H2,1-3H3/b19-18+
InChIKey XPAJKTVQRMIKOZ-VHEBQXMUSA-N
Molecular Weight 440.665 g/mol
SMILES CCCCCCCCCCCCCCCCOC(\C=C\C(OCC(CCOC)C)=O)=O