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Succinic acid, 2,5-difluorobenzyl heptadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,5-difluorobenzyl heptadecyl ester
SpectraBase Compound ID Dl4zLgmMiRn
InChI InChI=1S/C28H44F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-33-27(31)19-20-28(32)34-23-24-22-25(29)17-18-26(24)30/h17-18,22H,2-16,19-21,23H2,1H3
InChIKey WKDAIVBOCAAROX-UHFFFAOYSA-N
Mol Weight 482.7 g/mol
Molecular Formula C28H44F2O4
Exact Mass 482.320766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFZ2xk6MQNq
Name Succinic acid, 2,5-difluorobenzyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.320766219 u
Formula C28H44F2O4
InChI InChI=1S/C28H44F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-33-27(31)19-20-28(32)34-23-24-22-25(29)17-18-26(24)30/h17-18,22H,2-16,19-21,23H2,1H3
InChIKey WKDAIVBOCAAROX-UHFFFAOYSA-N
Molecular Weight 482.653 g/mol
SMILES C(CCC(OCC=1C(F)=CC=C(F)C1)=O)(OCCCCCCCCCCCCCCCCC)=O