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Sebacic acid, 3-fluorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-fluorophenyl tridecyl ester
SpectraBase Compound ID E0H81WPds7P
InChI InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-12-15-18-24-33-28(31)22-16-13-10-11-14-17-23-29(32)34-27-21-19-20-26(30)25-27/h19-21,25H,2-18,22-24H2,1H3
InChIKey JSCSFTCJGCLLEW-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C29H47FO4
Exact Mass 478.345838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xaaO7951ER
Name Sebacic acid, 3-fluorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.345838152 u
Formula C29H47FO4
InChI InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-12-15-18-24-33-28(31)22-16-13-10-11-14-17-23-29(32)34-27-21-19-20-26(30)25-27/h19-21,25H,2-18,22-24H2,1H3
InChIKey JSCSFTCJGCLLEW-UHFFFAOYSA-N
Molecular Weight 478.689 g/mol
SMILES C(C(OC1=CC(=CC=C1)F)=O)CCCCCCCC(OCCCCCCCCCCCCC)=O