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Fumaric acid, heptyl 4-phenylphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, heptyl 4-phenylphenyl ester
SpectraBase Compound ID 4xzU9vjsHJN
InChI InChI=1S/C23H26O4/c1-2-3-4-5-9-18-26-22(24)16-17-23(25)27-21-14-12-20(13-15-21)19-10-7-6-8-11-19/h6-8,10-17H,2-5,9,18H2,1H3/b17-16+
InChIKey NOFHNUOQLIPSML-WUKNDPDISA-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 1mAgDkqVlyd
Name Fumaric acid, heptyl 4-phenylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.183109313 u
Formula C23H26O4
InChI InChI=1S/C23H26O4/c1-2-3-4-5-9-18-26-22(24)16-17-23(25)27-21-14-12-20(13-15-21)19-10-7-6-8-11-19/h6-8,10-17H,2-5,9,18H2,1H3/b17-16+
InChIKey NOFHNUOQLIPSML-WUKNDPDISA-N
Molecular Weight 366.457 g/mol
SMILES C(OC1=CC=C(C2=CC=CC=C2)C=C1)(\C=C\C(OCCCCCCC)=O)=O