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Sebacic acid, 2-fluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-fluorophenyl undecyl ester
SpectraBase Compound ID 2ds4ebxImve
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-10-13-18-23-31-26(29)21-14-11-8-9-12-15-22-27(30)32-25-20-17-16-19-24(25)28/h16-17,19-20H,2-15,18,21-23H2,1H3
InChIKey ZGBLRTJUPXCEBS-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 IJIs8XFb2IE
Name Sebacic acid, 2-fluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.314538024 u
Formula C27H43FO4
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-10-13-18-23-31-26(29)21-14-11-8-9-12-15-22-27(30)32-25-20-17-16-19-24(25)28/h16-17,19-20H,2-15,18,21-23H2,1H3
InChIKey ZGBLRTJUPXCEBS-UHFFFAOYSA-N
Molecular Weight 450.635 g/mol
SMILES C(CCCCC(OC1=CC=CC=C1F)=O)CCCC(OCCCCCCCCCCC)=O