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Phthalic acid, octadecyl pentafluorophenyl ester

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Phthalic acid, octadecyl pentafluorophenyl ester
SpectraBase Compound ID F82ocEBOyPM
InChI InChI=1S/C32H41F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-40-31(38)23-20-17-18-21-24(23)32(39)41-30-28(36)26(34)25(33)27(35)29(30)37/h17-18,20-21H,2-16,19,22H2,1H3
InChIKey FAACVQBWPICRQZ-UHFFFAOYSA-N
Mol Weight 584.7 g/mol
Molecular Formula C32H41F5O4
Exact Mass 584.292501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyLxewriNo7
Name Phthalic acid, octadecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 584.292500611 u
Formula C32H41F5O4
InChI InChI=1S/C32H41F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-40-31(38)23-20-17-18-21-24(23)32(39)41-30-28(36)26(34)25(33)27(35)29(30)37/h17-18,20-21H,2-16,19,22H2,1H3
InChIKey FAACVQBWPICRQZ-UHFFFAOYSA-N
Molecular Weight 584.668 g/mol
SMILES C(OC(C1=C(C=CC=C1)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)=O)CCCCCCCCCCCCCCCCC