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Fumaric acid, octyl 4-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, octyl 4-phenoxybenzyl ester
SpectraBase Compound ID 6oNb3moWtjJ
InChI InChI=1S/C25H30O5/c1-2-3-4-5-6-10-19-28-24(26)17-18-25(27)29-20-21-13-15-23(16-14-21)30-22-11-8-7-9-12-22/h7-9,11-18H,2-6,10,19-20H2,1H3/b18-17+
InChIKey SQCQJMONXDFJHZ-ISLYRVAYSA-N
Mol Weight 410.51 g/mol
Molecular Formula C25H30O5
Exact Mass 410.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IG21rZ3qPlF
Name Fumaric acid, octyl 4-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.209324061 u
Formula C25H30O5
InChI InChI=1S/C25H30O5/c1-2-3-4-5-6-10-19-28-24(26)17-18-25(27)29-20-21-13-15-23(16-14-21)30-22-11-8-7-9-12-22/h7-9,11-18H,2-6,10,19-20H2,1H3/b18-17+
InChIKey SQCQJMONXDFJHZ-ISLYRVAYSA-N
Molecular Weight 410.510 g/mol
SMILES C(\C=C\C(OCCCCCCCC)=O)(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O