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Isophthalic acid, 3,5-difluorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-difluorophenyl nonyl ester
SpectraBase Compound ID LhbBH0NwlXa
InChI InChI=1S/C23H26F2O4/c1-2-3-4-5-6-7-8-12-28-22(26)17-10-9-11-18(13-17)23(27)29-21-15-19(24)14-20(25)16-21/h9-11,13-16H,2-8,12H2,1H3
InChIKey CAAQKWFLJWLQBM-UHFFFAOYSA-N
Mol Weight 404.45 g/mol
Molecular Formula C23H26F2O4
Exact Mass 404.179916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ht3whLuiuJ
Name Isophthalic acid, 3,5-difluorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.179915639 u
Formula C23H26F2O4
InChI InChI=1S/C23H26F2O4/c1-2-3-4-5-6-7-8-12-28-22(26)17-10-9-11-18(13-17)23(27)29-21-15-19(24)14-20(25)16-21/h9-11,13-16H,2-8,12H2,1H3
InChIKey CAAQKWFLJWLQBM-UHFFFAOYSA-N
Molecular Weight 404.454 g/mol
SMILES C1=C(C=C(C=C1F)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O)F