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Phthalic acid, 3-fluorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-fluorophenyl nonyl ester
SpectraBase Compound ID BKpuVSyI3GF
InChI InChI=1S/C23H27FO4/c1-2-3-4-5-6-7-10-16-27-22(25)20-14-8-9-15-21(20)23(26)28-19-13-11-12-18(24)17-19/h8-9,11-15,17H,2-7,10,16H2,1H3
InChIKey QKCRNRUILPXFMR-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 EJvqUHJb79L
Name Phthalic acid, 3-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)20-14-8-9-15-21(20)23(26)28-19-13-11-12-18(24)17-19/h8-9,11-15,17H,2-7,10,16H2,1H3
InChIKey QKCRNRUILPXFMR-UHFFFAOYSA-N
Molecular Weight 386.463 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCC)=O)C(OC1=CC(=CC=C1)F)=O