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

View entire compound with spectra: 1 NMR

Fumaric acid, isobutyl 4-(2-phenylpropyl-2)phenyl ester
SpectraBase Compound ID Kn1nCgKvAgW
InChI InChI=1S/C23H26O4/c1-17(2)16-26-21(24)14-15-22(25)27-20-12-10-19(11-13-20)23(3,4)18-8-6-5-7-9-18/h5-15,17H,16H2,1-4H3/b15-14+
InChIKey VZLLGDJZMNNQOM-CCEZHUSRSA-N
Mol Weight 366.46 g/mol
Molecular Formula C23H26O4
Exact Mass 366.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84D8AqyC1KR
Name Fumaric acid, isobutyl 4-(2-phenylpropyl-2)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.183109313 u
Formula C23H26O4
InChI InChI=1S/C23H26O4/c1-17(2)16-26-21(24)14-15-22(25)27-20-12-10-19(11-13-20)23(3,4)18-8-6-5-7-9-18/h5-15,17H,16H2,1-4H3/b15-14+
InChIKey VZLLGDJZMNNQOM-CCEZHUSRSA-N
Molecular Weight 366.457 g/mol
SMILES C(\C=C\C(OC1=CC=C(C=C1)C(C1=CC=CC=C1)(C)C)=O)(OCC(C)C)=O