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

View entire compound with spectra: 1 NMR

Fumaric acid, octyl 4-(2-phenylpropyl-2)phenyl ester
SpectraBase Compound ID 2d0pcSnHfD5
InChI InChI=1S/C27H34O4/c1-4-5-6-7-8-12-21-30-25(28)19-20-26(29)31-24-17-15-23(16-18-24)27(2,3)22-13-10-9-11-14-22/h9-11,13-20H,4-8,12,21H2,1-3H3/b20-19+
InChIKey NKHIPRJFNSQZMW-FMQUCBEESA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mb3u2HeuLF
Name Fumaric acid, octyl 4-(2-phenylpropyl-2)phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.245709571 u
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-4-5-6-7-8-12-21-30-25(28)19-20-26(29)31-24-17-15-23(16-18-24)27(2,3)22-13-10-9-11-14-22/h9-11,13-20H,4-8,12,21H2,1-3H3/b20-19+
InChIKey NKHIPRJFNSQZMW-FMQUCBEESA-N
Molecular Weight 422.565 g/mol
SMILES C(\C=C\C(OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)=O)(OCCCCCCCC)=O