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Fumaric acid, 4-phenoxybenzyl pentyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 4-phenoxybenzyl pentyl ester
SpectraBase Compound ID EXtd1vNfRrr
InChI InChI=1S/C22H24O5/c1-2-3-7-16-25-21(23)14-15-22(24)26-17-18-10-12-20(13-11-18)27-19-8-5-4-6-9-19/h4-6,8-15H,2-3,7,16-17H2,1H3/b15-14+
InChIKey QQVSOLFHKZZSRK-CCEZHUSRSA-N
Mol Weight 368.43 g/mol
Molecular Formula C22H24O5
Exact Mass 368.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G76oXzOEJoy
Name Fumaric acid, 4-phenoxybenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.162373868 u
Formula C22H24O5
InChI InChI=1S/C22H24O5/c1-2-3-7-16-25-21(23)14-15-22(24)26-17-18-10-12-20(13-11-18)27-19-8-5-4-6-9-19/h4-6,8-15H,2-3,7,16-17H2,1H3/b15-14+
InChIKey QQVSOLFHKZZSRK-CCEZHUSRSA-N
Molecular Weight 368.429 g/mol
SMILES C(\C=C\C(OCCCCC)=O)(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O