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Isophthalic acid, 2-fluorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-fluorophenyl nonyl ester
SpectraBase Compound ID DYO7GgXBiiy
InChI InChI=1S/C23H27FO4/c1-2-3-4-5-6-7-10-16-27-22(25)18-12-11-13-19(17-18)23(26)28-21-15-9-8-14-20(21)24/h8-9,11-15,17H,2-7,10,16H2,1H3
InChIKey JKMFPDWEQVYHQW-UHFFFAOYSA-N
Mol Weight 386.46 g/mol
Molecular Formula C23H27FO4
Exact Mass 386.189338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gTTE3T4srz
Name Isophthalic acid, 2-fluorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.189337508 u
Formula C23H27FO4
InChI InChI=1S/C23H27FO4/c1-2-3-4-5-6-7-10-16-27-22(25)18-12-11-13-19(17-18)23(26)28-21-15-9-8-14-20(21)24/h8-9,11-15,17H,2-7,10,16H2,1H3
InChIKey JKMFPDWEQVYHQW-UHFFFAOYSA-N
Molecular Weight 386.463 g/mol
SMILES C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OCCCCCCCCC)=O