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Glutaric acid, 2,5-difluorobenzyl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,5-difluorobenzyl hexadecyl ester
SpectraBase Compound ID 7aWAexbrFAa
InChI InChI=1S/C28H44F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-33-27(31)17-16-18-28(32)34-23-24-22-25(29)19-20-26(24)30/h19-20,22H,2-18,21,23H2,1H3
InChIKey OIGFWNSURBRTBH-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 5rZKl1zRFTz
Name Glutaric acid, 2,5-difluorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.320766219 u
Formula C28H44F2O4
InChI InChI=1S/C28H44F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-33-27(31)17-16-18-28(32)34-23-24-22-25(29)19-20-26(24)30/h19-20,22H,2-18,21,23H2,1H3
InChIKey OIGFWNSURBRTBH-UHFFFAOYSA-N
Molecular Weight 482.653 g/mol
SMILES C(OCC1=C(C=CC(=C1)F)F)(=O)CCCC(OCCCCCCCCCCCCCCCC)=O