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

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

Fumaric acid, dodecyl 2-methyl-4-methoxybutyl ester
SpectraBase Compound ID J0xdUxD4ti1
InChI InChI=1S/C22H40O5/c1-4-5-6-7-8-9-10-11-12-13-17-26-21(23)14-15-22(24)27-19-20(2)16-18-25-3/h14-15,20H,4-13,16-19H2,1-3H3/b15-14+
InChIKey DKPCMOZFCPMVGV-CCEZHUSRSA-N
Mol Weight 384.6 g/mol
Molecular Formula C22H40O5
Exact Mass 384.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrI5fv1RYwN
Name Fumaric acid, dodecyl 2-methyl-4-methoxybutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.287574383 u
Formula C22H40O5
InChI InChI=1S/C22H40O5/c1-4-5-6-7-8-9-10-11-12-13-17-26-21(23)14-15-22(24)27-19-20(2)16-18-25-3/h14-15,20H,4-13,16-19H2,1-3H3/b15-14+
InChIKey DKPCMOZFCPMVGV-CCEZHUSRSA-N
Molecular Weight 384.557 g/mol
SMILES C(\C=C\C(OCC(CCOC)C)=O)(OCCCCCCCCCCCC)=O