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Glutaric acid, 2-(2-fluorophenyl)ethyl octadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(2-fluorophenyl)ethyl octadecyl ester
SpectraBase Compound ID AfO6IFEpUaH
InChI InChI=1S/C31H51FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-35-30(33)23-20-24-31(34)36-27-25-28-21-17-18-22-29(28)32/h17-18,21-22H,2-16,19-20,23-27H2,1H3
InChIKey HKNZYJHXQMKAIQ-UHFFFAOYSA-N
Mol Weight 506.7 g/mol
Molecular Formula C31H51FO4
Exact Mass 506.377138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mbQntw9axC
Name Glutaric acid, 2-(2-fluorophenyl)ethyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.377138281 u
Formula C31H51FO4
InChI InChI=1S/C31H51FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-35-30(33)23-20-24-31(34)36-27-25-28-21-17-18-22-29(28)32/h17-18,21-22H,2-16,19-20,23-27H2,1H3
InChIKey HKNZYJHXQMKAIQ-UHFFFAOYSA-N
Molecular Weight 506.743 g/mol
SMILES C(OCCC1=C(C=CC=C1)F)(=O)CCCC(OCCCCCCCCCCCCCCCCCC)=O