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Succinic acid, 4-fluorobenzyl heptadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-fluorobenzyl heptadecyl ester
SpectraBase Compound ID 6J4sUHEKSSk
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32-27(30)21-22-28(31)33-24-25-17-19-26(29)20-18-25/h17-20H,2-16,21-24H2,1H3
InChIKey MSVIPPQDBAEGLX-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H45FO4
Exact Mass 464.330188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kjb2X8j9ear
Name Succinic acid, 4-fluorobenzyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.330188088 u
Formula C28H45FO4
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32-27(30)21-22-28(31)33-24-25-17-19-26(29)20-18-25/h17-20H,2-16,21-24H2,1H3
InChIKey MSVIPPQDBAEGLX-UHFFFAOYSA-N
Molecular Weight 464.662 g/mol
SMILES C(CCC(OCC1=CC=C(C=C1)F)=O)(OCCCCCCCCCCCCCCCCC)=O