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Phthalic acid, 3-fluorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-fluorophenyl heptadecyl ester
SpectraBase Compound ID 4ISXAVSt2Sg
InChI InChI=1S/C31H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-35-30(33)28-22-16-17-23-29(28)31(34)36-27-21-19-20-26(32)25-27/h16-17,19-23,25H,2-15,18,24H2,1H3
InChIKey MIVFBKJUIBCUBN-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C31H43FO4
Exact Mass 498.314538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1gGftve6AIl
Name Phthalic acid, 3-fluorophenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.314538024 u
Formula C31H43FO4
InChI InChI=1S/C31H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-35-30(33)28-22-16-17-23-29(28)31(34)36-27-21-19-20-26(32)25-27/h16-17,19-23,25H,2-15,18,24H2,1H3
InChIKey MIVFBKJUIBCUBN-UHFFFAOYSA-N
Molecular Weight 498.679 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCCCCC)=O)C(OC1=CC(=CC=C1)F)=O