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Sebacic acid, 2-bromo-4-fluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-bromo-4-fluorophenyl undecyl ester
SpectraBase Compound ID EjdCYgdMLHd
InChI InChI=1S/C27H42BrFO4/c1-2-3-4-5-6-7-10-13-16-21-32-26(30)17-14-11-8-9-12-15-18-27(31)33-25-20-19-23(29)22-24(25)28/h19-20,22H,2-18,21H2,1H3
InChIKey GWRVCOQOLBRVBQ-UHFFFAOYSA-N
Mol Weight 529.5 g/mol
Molecular Formula C27H42BrFO4
Exact Mass 528.225051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIydpqinZW2
Name Sebacic acid, 2-bromo-4-fluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 528.225050991 u
Formula C27H42BrFO4
InChI InChI=1S/C27H42BrFO4/c1-2-3-4-5-6-7-10-13-16-21-32-26(30)17-14-11-8-9-12-15-18-27(31)33-25-20-19-23(29)22-24(25)28/h19-20,22H,2-18,21H2,1H3
InChIKey GWRVCOQOLBRVBQ-UHFFFAOYSA-N
Molecular Weight 529.531 g/mol
SMILES C(CCCCCC(OC1=CC=C(C=C1Br)F)=O)CCC(OCCCCCCCCCCC)=O