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Phthalic acid, 2-fluorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-fluorophenyl pentadecyl ester
SpectraBase Compound ID 5X7Y2pk2pls
InChI InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-33-28(31)24-19-14-15-20-25(24)29(32)34-27-22-17-16-21-26(27)30/h14-17,19-22H,2-13,18,23H2,1H3
InChIKey GOPHITJFNXJUKG-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 3PbJvinWTzO
Name Phthalic acid, 2-fluorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.283237895 u
Formula C29H39FO4
InChI InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-33-28(31)24-19-14-15-20-25(24)29(32)34-27-22-17-16-21-26(27)30/h14-17,19-22H,2-13,18,23H2,1H3
InChIKey GOPHITJFNXJUKG-UHFFFAOYSA-N
Molecular Weight 470.625 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCCC)=O)C(OC1=CC=CC=C1F)=O