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Phthalic acid, 2-fluorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-fluorophenyl tridecyl ester
SpectraBase Compound ID 8wX6bVhGwuz
InChI InChI=1S/C27H35FO4/c1-2-3-4-5-6-7-8-9-10-11-16-21-31-26(29)22-17-12-13-18-23(22)27(30)32-25-20-15-14-19-24(25)28/h12-15,17-20H,2-11,16,21H2,1H3
InChIKey ZLNFDMYEVZYGLV-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H35FO4
Exact Mass 442.251938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6T0GYS2fy6
Name Phthalic acid, 2-fluorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.251937766 u
Formula C27H35FO4
InChI InChI=1S/C27H35FO4/c1-2-3-4-5-6-7-8-9-10-11-16-21-31-26(29)22-17-12-13-18-23(22)27(30)32-25-20-15-14-19-24(25)28/h12-15,17-20H,2-11,16,21H2,1H3
InChIKey ZLNFDMYEVZYGLV-UHFFFAOYSA-N
Molecular Weight 442.571 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCC)=O)C(OC1=CC=CC=C1F)=O