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Fumaric acid, pentadecyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, pentadecyl 3-phenylpropyl ester
SpectraBase Compound ID B4cFR2uDoQM
InChI InChI=1S/C28H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-31-27(29)22-23-28(30)32-25-18-21-26-19-15-14-16-20-26/h14-16,19-20,22-23H,2-13,17-18,21,24-25H2,1H3/b23-22+
InChIKey FXEWWKOEEXSRCT-GHVJWSGMSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bfH8ZAivJ
Name Fumaric acid, pentadecyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-31-27(29)22-23-28(30)32-25-18-21-26-19-15-14-16-20-26/h14-16,19-20,22-23H,2-13,17-18,21,24-25H2,1H3/b23-22+
InChIKey FXEWWKOEEXSRCT-GHVJWSGMSA-N
Molecular Weight 444.656 g/mol
SMILES C(CCCOC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O)CCCCCCCCCCC