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

View entire compound with spectra: 1 NMR

Fumaric acid, heptyl 4-(2-phenylpropyl-2)phenyl ester
SpectraBase Compound ID ALsAYPZBTwH
InChI InChI=1S/C26H32O4/c1-4-5-6-7-11-20-29-24(27)18-19-25(28)30-23-16-14-22(15-17-23)26(2,3)21-12-9-8-10-13-21/h8-10,12-19H,4-7,11,20H2,1-3H3/b19-18+
InChIKey FEXVDQQMTQQOQQ-VHEBQXMUSA-N
Mol Weight 408.5 g/mol
Molecular Formula C26H32O4
Exact Mass 408.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDPZD0FNVHs
Name Fumaric acid, heptyl 4-(2-phenylpropyl-2)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.230059506 u
Formula C26H32O4
InChI InChI=1S/C26H32O4/c1-4-5-6-7-11-20-29-24(27)18-19-25(28)30-23-16-14-22(15-17-23)26(2,3)21-12-9-8-10-13-21/h8-10,12-19H,4-7,11,20H2,1-3H3/b19-18+
InChIKey FEXVDQQMTQQOQQ-VHEBQXMUSA-N
Molecular Weight 408.538 g/mol
SMILES C(\C=C\C(OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)=O)(OCCCCCCC)=O