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Fumaric acid, 2-isopropoxyphenyl octyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-isopropoxyphenyl octyl ester
SpectraBase Compound ID KPAXsXhtBcJ
InChI InChI=1S/C21H30O5/c1-4-5-6-7-8-11-16-24-20(22)14-15-21(23)26-19-13-10-9-12-18(19)25-17(2)3/h9-10,12-15,17H,4-8,11,16H2,1-3H3/b15-14+
InChIKey ZDAIGUSHPHOQGO-CCEZHUSRSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxbWLKbHgLd
Name Fumaric acid, 2-isopropoxyphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-4-5-6-7-8-11-16-24-20(22)14-15-21(23)26-19-13-10-9-12-18(19)25-17(2)3/h9-10,12-15,17H,4-8,11,16H2,1-3H3/b15-14+
InChIKey ZDAIGUSHPHOQGO-CCEZHUSRSA-N
Molecular Weight 362.466 g/mol
SMILES C(\C=C\C(OC1=C(C=CC=C1)OC(C)C)=O)(OCCCCCCCC)=O