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Phthalic acid, nonyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl pentafluorophenyl ester
SpectraBase Compound ID L9IhOhJsMb0
InChI InChI=1S/C23H23F5O4/c1-2-3-4-5-6-7-10-13-31-22(29)14-11-8-9-12-15(14)23(30)32-21-19(27)17(25)16(24)18(26)20(21)28/h8-9,11-12H,2-7,10,13H2,1H3
InChIKey TYZOEAKDLHQFDC-UHFFFAOYSA-N
Mol Weight 458.43 g/mol
Molecular Formula C23H23F5O4
Exact Mass 458.15165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GLmuLemufT
Name Phthalic acid, nonyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.151650032 u
Formula C23H23F5O4
InChI InChI=1S/C23H23F5O4/c1-2-3-4-5-6-7-10-13-31-22(29)14-11-8-9-12-15(14)23(30)32-21-19(27)17(25)16(24)18(26)20(21)28/h8-9,11-12H,2-7,10,13H2,1H3
InChIKey TYZOEAKDLHQFDC-UHFFFAOYSA-N
Molecular Weight 458.425 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCC)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O