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Fumaric acid, bis[(1-naphthyl)methyl] ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

Fumaric acid, bis[(1-naphthyl)methyl] ester
SpectraBase Compound ID FGYrSBiTHij
InChI InChI=1S/C26H20O4/c27-25(29-17-21-11-5-9-19-7-1-3-13-23(19)21)15-16-26(28)30-18-22-12-6-10-20-8-2-4-14-24(20)22/h1-16H,17-18H2/b16-15+
InChIKey YHNRESKYUMBYOU-FOCLMDBBSA-N
Mol Weight 396.44 g/mol
Molecular Formula C26H20O4
Exact Mass 396.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61rj59bhTtz
Name Fumaric acid, bis[(1-naphthyl)methyl] ester
Comments Computed using HOSE algorithm
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Exact Mass 396.136159120 u
Formula C26H20O4
InChI InChI=1S/C26H20O4/c27-25(29-17-21-11-5-9-19-7-1-3-13-23(19)21)15-16-26(28)30-18-22-12-6-10-20-8-2-4-14-24(20)22/h1-16H,17-18H2/b16-15+
InChIKey YHNRESKYUMBYOU-FOCLMDBBSA-N
Molecular Weight 396.442 g/mol
SMILES C(=O)(\C=C\C(OCC=1C=CC=C2C=CC=CC12)=O)OCC=1C=CC=C2C=CC=CC12