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Phthalic acid, nonyl 2-(pentafluorophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID dQ58hSbtDD
InChI InChI=1S/C25H27F5O5/c1-2-3-4-5-6-7-10-13-34-24(31)16-11-8-9-12-17(16)25(32)35-15-14-33-23-21(29)19(27)18(26)20(28)22(23)30/h8-9,11-12H,2-7,10,13-15H2,1H3
InChIKey YPYVQVYSGJZXJW-UHFFFAOYSA-N
Mol Weight 502.48 g/mol
Molecular Formula C25H27F5O5
Exact Mass 502.177865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52xFH0NOdTR
Name Phthalic acid, nonyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.177864779 u
Formula C25H27F5O5
InChI InChI=1S/C25H27F5O5/c1-2-3-4-5-6-7-10-13-34-24(31)16-11-8-9-12-17(16)25(32)35-15-14-33-23-21(29)19(27)18(26)20(28)22(23)30/h8-9,11-12H,2-7,10,13-15H2,1H3
InChIKey YPYVQVYSGJZXJW-UHFFFAOYSA-N
Molecular Weight 502.478 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCCCC)=O