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Fumaric acid, hexyl 4-(2-phenylpropyl-2)phenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, hexyl 4-(2-phenylpropyl-2)phenyl ester
SpectraBase Compound ID F2UWbgo4t6L
InChI InChI=1S/C25H30O4/c1-4-5-6-10-19-28-23(26)17-18-24(27)29-22-15-13-21(14-16-22)25(2,3)20-11-8-7-9-12-20/h7-9,11-18H,4-6,10,19H2,1-3H3/b18-17+
InChIKey CFXDYENLSQJSBJ-ISLYRVAYSA-N
Mol Weight 394.51 g/mol
Molecular Formula C25H30O4
Exact Mass 394.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2o3qMmCSVT8
Name Fumaric acid, hexyl 4-(2-phenylpropyl-2)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.214409442 u
Formula C25H30O4
InChI InChI=1S/C25H30O4/c1-4-5-6-10-19-28-23(26)17-18-24(27)29-22-15-13-21(14-16-22)25(2,3)20-11-8-7-9-12-20/h7-9,11-18H,4-6,10,19H2,1-3H3/b18-17+
InChIKey CFXDYENLSQJSBJ-ISLYRVAYSA-N
Molecular Weight 394.511 g/mol
SMILES C(\C=C\C(OCCCCCC)=O)(OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)=O