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Fumaric acid, decyl 4-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, decyl 4-phenoxybenzyl ester
SpectraBase Compound ID Bnu1sfXAbrD
InChI InChI=1S/C27H34O5/c1-2-3-4-5-6-7-8-12-21-30-26(28)19-20-27(29)31-22-23-15-17-25(18-16-23)32-24-13-10-9-11-14-24/h9-11,13-20H,2-8,12,21-22H2,1H3/b20-19+
InChIKey GDZPDSXGXXNUKJ-FMQUCBEESA-N
Mol Weight 438.6 g/mol
Molecular Formula C27H34O5
Exact Mass 438.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvLPeLdAHyx
Name Fumaric acid, decyl 4-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.240624190 u
Formula C27H34O5
InChI InChI=1S/C27H34O5/c1-2-3-4-5-6-7-8-12-21-30-26(28)19-20-27(29)31-22-23-15-17-25(18-16-23)32-24-13-10-9-11-14-24/h9-11,13-20H,2-8,12,21-22H2,1H3/b20-19+
InChIKey GDZPDSXGXXNUKJ-FMQUCBEESA-N
Molecular Weight 438.564 g/mol
SMILES C(\C=C\C(OCCCCCCCCCC)=O)(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O