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Terephthalic acid, 2-fluorobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-fluorobenzyl nonyl ester
SpectraBase Compound ID FvNJ1knfWTk
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-7-10-17-28-23(26)19-13-15-20(16-14-19)24(27)29-18-21-11-8-9-12-22(21)25/h8-9,11-16H,2-7,10,17-18H2,1H3
InChIKey GHMZPVOUYBPPEO-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C24H29FO4
Exact Mass 400.204988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wD2VVzMdK3
Name Terephthalic acid, 2-fluorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.204987573 u
Formula C24H29FO4
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-7-10-17-28-23(26)19-13-15-20(16-14-19)24(27)29-18-21-11-8-9-12-22(21)25/h8-9,11-16H,2-7,10,17-18H2,1H3
InChIKey GHMZPVOUYBPPEO-UHFFFAOYSA-N
Molecular Weight 400.490 g/mol
SMILES C1=CC(=CC=C1C(OCC1=C(C=CC=C1)F)=O)C(OCCCCCCCCC)=O