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Fumaric acid, naphth-1-yl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, naphth-1-yl 2-ethylhexyl ester
SpectraBase Compound ID Ln8HEA1GW7H
InChI InChI=1S/C22H26O4/c1-3-5-9-17(4-2)16-25-21(23)14-15-22(24)26-20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-15,17H,3-5,9,16H2,1-2H3/b15-14+
InChIKey VSTXMTMGBBBAHU-CCEZHUSRSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E22IjLPJKYW
Name Fumaric acid, naphth-1-yl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-3-5-9-17(4-2)16-25-21(23)14-15-22(24)26-20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-15,17H,3-5,9,16H2,1-2H3/b15-14+
InChIKey VSTXMTMGBBBAHU-CCEZHUSRSA-N
Molecular Weight 354.446 g/mol
SMILES C(\C=C\C(OCC(CC)CCCC)=O)(OC1=CC=CC2=C1C=CC=C2)=O