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Pimelic acid, 2-fluorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-fluorophenyl tridecyl ester
SpectraBase Compound ID CEzcASUq6G2
InChI InChI=1S/C26H41FO4/c1-2-3-4-5-6-7-8-9-10-11-17-22-30-25(28)20-13-12-14-21-26(29)31-24-19-16-15-18-23(24)27/h15-16,18-19H,2-14,17,20-22H2,1H3
InChIKey YJCPHMFKQCILCG-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 Emi1eYkCfJS
Name Pimelic acid, 2-fluorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.298887959 u
Formula C26H41FO4
InChI InChI=1S/C26H41FO4/c1-2-3-4-5-6-7-8-9-10-11-17-22-30-25(28)20-13-12-14-21-26(29)31-24-19-16-15-18-23(24)27/h15-16,18-19H,2-14,17,20-22H2,1H3
InChIKey YJCPHMFKQCILCG-UHFFFAOYSA-N
Molecular Weight 436.608 g/mol
SMILES C(CCCC(OCCCCCCCCCCCCC)=O)CC(OC=1C=CC=CC1F)=O