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Fumaric acid, pentyl 4-(2-phenylpropyl-2)phenyl ester
SpectraBase Compound ID Adnpb6qlfZX
InChI InChI=1S/C24H28O4/c1-4-5-9-18-27-22(25)16-17-23(26)28-21-14-12-20(13-15-21)24(2,3)19-10-7-6-8-11-19/h6-8,10-17H,4-5,9,18H2,1-3H3/b17-16+
InChIKey UFXJPVGGLVVRAE-WUKNDPDISA-N
Mol Weight 380.48 g/mol
Molecular Formula C24H28O4
Exact Mass 380.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ni6FXtxwpA
Name Fumaric acid, pentyl 4-(2-phenylpropyl-2)phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.198759378 u
Formula C24H28O4
InChI InChI=1S/C24H28O4/c1-4-5-9-18-27-22(25)16-17-23(26)28-21-14-12-20(13-15-21)24(2,3)19-10-7-6-8-11-19/h6-8,10-17H,4-5,9,18H2,1-3H3/b17-16+
InChIKey UFXJPVGGLVVRAE-WUKNDPDISA-N
Molecular Weight 380.484 g/mol
SMILES CCCCCOC(\C=C\C(OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)=O)=O