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Fumaric acid, 2,5-dimethylphenyl undecyl ester

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Fumaric acid, 2,5-dimethylphenyl undecyl ester
SpectraBase Compound ID 64ew0MSTXaw
InChI InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-12-17-26-22(24)15-16-23(25)27-21-18-19(2)13-14-20(21)3/h13-16,18H,4-12,17H2,1-3H3/b16-15+
InChIKey YOIAUWUPCOJGCW-FOCLMDBBSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID f7LkMB5vAh
Name Fumaric acid, 2,5-dimethylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-12-17-26-22(24)15-16-23(25)27-21-18-19(2)13-14-20(21)3/h13-16,18H,4-12,17H2,1-3H3/b16-15+
InChIKey YOIAUWUPCOJGCW-FOCLMDBBSA-N
Molecular Weight 374.521 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCC)=O)(OC1=C(C=CC(=C1)C)C)=O