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Phthalic acid, 3-fluorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-fluorophenyl tridecyl ester
SpectraBase Compound ID Ixcb1lNgxs1
InChI InChI=1S/C27H35FO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-31-26(29)24-18-12-13-19-25(24)27(30)32-23-17-15-16-22(28)21-23/h12-13,15-19,21H,2-11,14,20H2,1H3
InChIKey FHMZBEFBKGJRKX-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 CkgN515ryhb
Name Phthalic acid, 3-fluorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.251937766 u
Formula C27H35FO4
InChI InChI=1S/C27H35FO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-31-26(29)24-18-12-13-19-25(24)27(30)32-23-17-15-16-22(28)21-23/h12-13,15-19,21H,2-11,14,20H2,1H3
InChIKey FHMZBEFBKGJRKX-UHFFFAOYSA-N
Molecular Weight 442.571 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCC)=O)C(OC1=CC(=CC=C1)F)=O