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Succinic acid, 4-fluorophenethyl heptadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-fluorophenethyl heptadecyl ester
SpectraBase Compound ID AdfwxeCxaWD
InChI InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-33-28(31)21-22-29(32)34-25-23-26-17-19-27(30)20-18-26/h17-20H,2-16,21-25H2,1H3
InChIKey JTRWRYSACRLLOE-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C29H47FO4
Exact Mass 478.345838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9Emxb8thNy
Name Succinic acid, 4-fluorophenethyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.345838152 u
Formula C29H47FO4
InChI InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-33-28(31)21-22-29(32)34-25-23-26-17-19-27(30)20-18-26/h17-20H,2-16,21-25H2,1H3
InChIKey JTRWRYSACRLLOE-UHFFFAOYSA-N
Molecular Weight 478.689 g/mol
SMILES C(CCC(OCCC1=CC=C(C=C1)F)=O)(OCCCCCCCCCCCCCCCCC)=O