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Terephthalic acid, 2-bromo-4-fluorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-bromo-4-fluorophenyl nonyl ester
SpectraBase Compound ID G6npvh572Zv
InChI InChI=1S/C23H26BrFO4/c1-2-3-4-5-6-7-8-15-28-22(26)17-9-11-18(12-10-17)23(27)29-21-14-13-19(25)16-20(21)24/h9-14,16H,2-8,15H2,1H3
InChIKey DIADHNZZYJZHAY-UHFFFAOYSA-N
Mol Weight 465.36 g/mol
Molecular Formula C23H26BrFO4
Exact Mass 464.09985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOCvIVSNy8e
Name Terephthalic acid, 2-bromo-4-fluorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.099850476 u
Formula C23H26BrFO4
InChI InChI=1S/C23H26BrFO4/c1-2-3-4-5-6-7-8-15-28-22(26)17-9-11-18(12-10-17)23(27)29-21-14-13-19(25)16-20(21)24/h9-14,16H,2-8,15H2,1H3
InChIKey DIADHNZZYJZHAY-UHFFFAOYSA-N
Molecular Weight 465.359 g/mol
SMILES CCCCCCCCCOC(C1=CC=C(C(OC2=CC=C(C=C2Br)F)=O)C=C1)=O