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Fumaric acid, 2-isopropoxyphenyl undecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-isopropoxyphenyl undecyl ester
SpectraBase Compound ID 55u6HtYC07A
InChI InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-14-19-27-23(25)17-18-24(26)29-22-16-13-12-15-21(22)28-20(2)3/h12-13,15-18,20H,4-11,14,19H2,1-3H3/b18-17+
InChIKey VSFQIXPYDUHIGQ-ISLYRVAYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4In8P9umef1
Name Fumaric acid, 2-isopropoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.256274254 u
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-14-19-27-23(25)17-18-24(26)29-22-16-13-12-15-21(22)28-20(2)3/h12-13,15-18,20H,4-11,14,19H2,1-3H3/b18-17+
InChIKey VSFQIXPYDUHIGQ-ISLYRVAYSA-N
Molecular Weight 404.547 g/mol
SMILES CCCCCCCCCCCOC(\C=C\C(OC1=C(C=CC=C1)OC(C)C)=O)=O