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Glutaric acid, 2-(4-fluorophenyl)ethyl tridecyl ester
SpectraBase Compound ID A8EqLzaPPWq
InChI InChI=1S/C26H41FO4/c1-2-3-4-5-6-7-8-9-10-11-12-21-30-25(28)14-13-15-26(29)31-22-20-23-16-18-24(27)19-17-23/h16-19H,2-15,20-22H2,1H3
InChIKey WNCDYBRIBBYVKC-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H41FO4
Exact Mass 436.298888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tfbPYHyBQh
Name Glutaric acid, 2-(4-fluorophenyl)ethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.298887959 u
Formula C26H41FO4
InChI InChI=1S/C26H41FO4/c1-2-3-4-5-6-7-8-9-10-11-12-21-30-25(28)14-13-15-26(29)31-22-20-23-16-18-24(27)19-17-23/h16-19H,2-15,20-22H2,1H3
InChIKey WNCDYBRIBBYVKC-UHFFFAOYSA-N
Molecular Weight 436.608 g/mol
SMILES C(OCCC1=CC=C(C=C1)F)(=O)CCCC(OCCCCCCCCCCCCC)=O