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Fumaric acid, heptyl 4-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, heptyl 4-phenoxybenzyl ester
SpectraBase Compound ID 4MOQviVl3Lc
InChI InChI=1S/C24H28O5/c1-2-3-4-5-9-18-27-23(25)16-17-24(26)28-19-20-12-14-22(15-13-20)29-21-10-7-6-8-11-21/h6-8,10-17H,2-5,9,18-19H2,1H3/b17-16+
InChIKey DBHCSXJYMMWFKK-WUKNDPDISA-N
Mol Weight 396.48 g/mol
Molecular Formula C24H28O5
Exact Mass 396.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9lsFw8s0EES
Name Fumaric acid, heptyl 4-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.193673997 u
Formula C24H28O5
InChI InChI=1S/C24H28O5/c1-2-3-4-5-9-18-27-23(25)16-17-24(26)28-19-20-12-14-22(15-13-20)29-21-10-7-6-8-11-21/h6-8,10-17H,2-5,9,18-19H2,1H3/b17-16+
InChIKey DBHCSXJYMMWFKK-WUKNDPDISA-N
Molecular Weight 396.483 g/mol
SMILES C(\C=C\C(OCCCCCCC)=O)(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O