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Glutaric acid, 4-fluorobenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-fluorobenzyl pentadecyl ester
SpectraBase Compound ID LfZWTZyyQzS
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-31-26(29)16-15-17-27(30)32-23-24-18-20-25(28)21-19-24/h18-21H,2-17,22-23H2,1H3
InChIKey KANQEZVDDCYSBD-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 JWiGANcXCWc
Name Glutaric acid, 4-fluorobenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.314538024 u
Formula C27H43FO4
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-31-26(29)16-15-17-27(30)32-23-24-18-20-25(28)21-19-24/h18-21H,2-17,22-23H2,1H3
InChIKey KANQEZVDDCYSBD-UHFFFAOYSA-N
Molecular Weight 450.635 g/mol
SMILES C(OCC1=CC=C(C=C1)F)(=O)CCCC(OCCCCCCCCCCCCCCC)=O