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Pimelic acid, 2-fluorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-fluorophenyl tetradecyl ester
SpectraBase Compound ID 3MG8EHYd1JV
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-31-26(29)21-14-13-15-22-27(30)32-25-20-17-16-19-24(25)28/h16-17,19-20H,2-15,18,21-23H2,1H3
InChIKey ZPLCQDORJVQFTB-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 IScUU0tYaZm
Name Pimelic acid, 2-fluorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.314538024 u
Formula C27H43FO4
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-31-26(29)21-14-13-15-22-27(30)32-25-20-17-16-19-24(25)28/h16-17,19-20H,2-15,18,21-23H2,1H3
InChIKey ZPLCQDORJVQFTB-UHFFFAOYSA-N
Molecular Weight 450.635 g/mol
SMILES C(CCCC(OCCCCCCCCCCCCCC)=O)CC(OC=1C=CC=CC1F)=O