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Glutaric acid, 2-chloro-6-fluorobenzyl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-6-fluorobenzyl hexadecyl ester
SpectraBase Compound ID 4ZMor8dEBk1
InChI InChI=1S/C28H44ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33-27(31)20-17-21-28(32)34-23-24-25(29)18-16-19-26(24)30/h16,18-19H,2-15,17,20-23H2,1H3
InChIKey OGSSJZSSVLAYOS-UHFFFAOYSA-N
Mol Weight 499.1 g/mol
Molecular Formula C28H44ClFO4
Exact Mass 498.291216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37C04uoyZiQ
Name Glutaric acid, 2-chloro-6-fluorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.291215756 u
Formula C28H44ClFO4
InChI InChI=1S/C28H44ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33-27(31)20-17-21-28(32)34-23-24-25(29)18-16-19-26(24)30/h16,18-19H,2-15,17,20-23H2,1H3
InChIKey OGSSJZSSVLAYOS-UHFFFAOYSA-N
Molecular Weight 499.107 g/mol
SMILES C(COC(=O)CCCC(OCC1=C(C=CC=C1F)Cl)=O)CCCCCCCCCCCCCC