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Phthalic acid, 2-fluorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-fluorophenyl hexadecyl ester
SpectraBase Compound ID KvqpVPK6PYG
InChI InChI=1S/C30H41FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-34-29(32)25-20-15-16-21-26(25)30(33)35-28-23-18-17-22-27(28)31/h15-18,20-23H,2-14,19,24H2,1H3
InChIKey ZJLCWBWEIXYHBX-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C30H41FO4
Exact Mass 484.298888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KkvR2s3GxIE
Name Phthalic acid, 2-fluorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.298887959 u
Formula C30H41FO4
InChI InChI=1S/C30H41FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-34-29(32)25-20-15-16-21-26(25)30(33)35-28-23-18-17-22-27(28)31/h15-18,20-23H,2-14,19,24H2,1H3
InChIKey ZJLCWBWEIXYHBX-UHFFFAOYSA-N
Molecular Weight 484.652 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCCCC)=O)C(OC1=CC=CC=C1F)=O