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

View entire compound with spectra: 1 NMR

Fumaric acid, isohexyl 4-(2-phenylpropyl-2)phenyl ester
SpectraBase Compound ID HeBU9FzUAMH
InChI InChI=1S/C25H30O4/c1-19(2)9-8-18-28-23(26)16-17-24(27)29-22-14-12-21(13-15-22)25(3,4)20-10-6-5-7-11-20/h5-7,10-17,19H,8-9,18H2,1-4H3/b17-16+
InChIKey MCZNMCOIMIBMRJ-WUKNDPDISA-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 3I7B6cparbL
Name Fumaric acid, isohexyl 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/c1-19(2)9-8-18-28-23(26)16-17-24(27)29-22-14-12-21(13-15-22)25(3,4)20-10-6-5-7-11-20/h5-7,10-17,19H,8-9,18H2,1-4H3/b17-16+
InChIKey MCZNMCOIMIBMRJ-WUKNDPDISA-N
Molecular Weight 394.511 g/mol
SMILES C(\C=C\C(OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)=O)(OCCCC(C)C)=O