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Glutaric acid, 2-fluorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-fluorophenyl hexadecyl ester
SpectraBase Compound ID K6WeOHrj4kS
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-31-26(29)21-18-22-27(30)32-25-20-16-15-19-24(25)28/h15-16,19-20H,2-14,17-18,21-23H2,1H3
InChIKey RJOGXOKSHAYWCS-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C27H43FO4
Exact Mass 450.314538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1tiCXAc3YC
Name Glutaric acid, 2-fluorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.314538024 u
Formula C27H43FO4
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-31-26(29)21-18-22-27(30)32-25-20-16-15-19-24(25)28/h15-16,19-20H,2-14,17-18,21-23H2,1H3
InChIKey RJOGXOKSHAYWCS-UHFFFAOYSA-N
Molecular Weight 450.635 g/mol
SMILES CCCCCCCCCCCCCCCCOC(CCCC(OC1=CC=CC=C1F)=O)=O