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Phthalic acid, 2-fluorobenzyl hexadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-fluorobenzyl hexadecyl ester
SpectraBase Compound ID FT2apxbBMo7
InChI InChI=1S/C31H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-35-30(33)27-21-16-17-22-28(27)31(34)36-25-26-20-15-18-23-29(26)32/h15-18,20-23H,2-14,19,24-25H2,1H3
InChIKey QEWXEWQTYAREIT-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 9ob1c1eoVdw
Name Phthalic acid, 2-fluorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.314538024 u
Formula C31H43FO4
InChI InChI=1S/C31H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-35-30(33)27-21-16-17-22-28(27)31(34)36-25-26-20-15-18-23-29(26)32/h15-18,20-23H,2-14,19,24-25H2,1H3
InChIKey QEWXEWQTYAREIT-UHFFFAOYSA-N
Molecular Weight 498.679 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCCC)=O)C(OCC1=CC=CC=C1F)=O