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Fumaric acid, di(2-(2-methoxyethyl)hexyl) ester

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

Fumaric acid, di(2-(2-methoxyethyl)hexyl) ester
SpectraBase Compound ID A2XLnVHsDmZ
InChI InChI=1S/C22H40O6/c1-5-7-9-19(13-15-25-3)17-27-21(23)11-12-22(24)28-18-20(10-8-6-2)14-16-26-4/h11-12,19-20H,5-10,13-18H2,1-4H3/b12-11+
InChIKey MVFJAKQKABCLEN-VAWYXSNFSA-N
Mol Weight 400.6 g/mol
Molecular Formula C22H40O6
Exact Mass 400.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tzgM5Pg6J5
Name Fumaric acid, di(2-(2-methoxyethyl)hexyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 400.282489002 u
Formula C22H40O6
InChI InChI=1S/C22H40O6/c1-5-7-9-19(13-15-25-3)17-27-21(23)11-12-22(24)28-18-20(10-8-6-2)14-16-26-4/h11-12,19-20H,5-10,13-18H2,1-4H3/b12-11+
InChIKey MVFJAKQKABCLEN-VAWYXSNFSA-N
Molecular Weight 400.556 g/mol
SMILES C(\C=C\C(OCC(CCCC)CCOC)=O)(OCC(CCCC)CCOC)=O