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Phthalic acid, 2-fluorobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-fluorobenzyl tridecyl ester
SpectraBase Compound ID 9PyvMzsWMYc
InChI InChI=1S/C28H37FO4/c1-2-3-4-5-6-7-8-9-10-11-16-21-32-27(30)24-18-13-14-19-25(24)28(31)33-22-23-17-12-15-20-26(23)29/h12-15,17-20H,2-11,16,21-22H2,1H3
InChIKey PNVNDPFTYJHBTK-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H37FO4
Exact Mass 456.267588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fp3idz3I6cG
Name Phthalic acid, 2-fluorobenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.267587830 u
Formula C28H37FO4
InChI InChI=1S/C28H37FO4/c1-2-3-4-5-6-7-8-9-10-11-16-21-32-27(30)24-18-13-14-19-25(24)28(31)33-22-23-17-12-15-20-26(23)29/h12-15,17-20H,2-11,16,21-22H2,1H3
InChIKey PNVNDPFTYJHBTK-UHFFFAOYSA-N
Molecular Weight 456.598 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCC)=O)C(OCC1=CC=CC=C1F)=O