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Phthalic acid, 2-(2-fluorophenyl)ethyl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(2-fluorophenyl)ethyl pentadecyl ester
SpectraBase Compound ID 8XhbfmEOYTT
InChI InChI=1S/C31H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-35-30(33)27-20-15-16-21-28(27)31(34)36-25-23-26-19-14-17-22-29(26)32/h14-17,19-22H,2-13,18,23-25H2,1H3
InChIKey XVWFZFNKGZFTLU-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C31H43FO4
Exact Mass 498.314538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBtxah42n0k
Name Phthalic acid, 2-(2-fluorophenyl)ethyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.314538024 u
Formula C31H43FO4
InChI InChI=1S/C31H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-35-30(33)27-20-15-16-21-28(27)31(34)36-25-23-26-19-14-17-22-29(26)32/h14-17,19-22H,2-13,18,23-25H2,1H3
InChIKey XVWFZFNKGZFTLU-UHFFFAOYSA-N
Molecular Weight 498.679 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1F)=O)(OCCCCCCCCCCCCCCC)=O