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Phthalic acid, 2-(2-fluorophenyl)ethyl tridecyl ester
SpectraBase Compound ID m2gU6OogOO
InChI InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-16-22-33-28(31)25-18-13-14-19-26(25)29(32)34-23-21-24-17-12-15-20-27(24)30/h12-15,17-20H,2-11,16,21-23H2,1H3
InChIKey YBPQELWZRSDRJR-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C29H39FO4
Exact Mass 470.283238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HukT09Oj1Xi
Name Phthalic acid, 2-(2-fluorophenyl)ethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.283237895 u
Formula C29H39FO4
InChI InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-16-22-33-28(31)25-18-13-14-19-26(25)29(32)34-23-21-24-17-12-15-20-27(24)30/h12-15,17-20H,2-11,16,21-23H2,1H3
InChIKey YBPQELWZRSDRJR-UHFFFAOYSA-N
Molecular Weight 470.625 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1F)=O)(OCCCCCCCCCCCCC)=O