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Phthalic acid, 2-(pentafluorophenoxy)ethyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(pentafluorophenoxy)ethyl undecyl ester
SpectraBase Compound ID 4iOZQUDyBHU
InChI InChI=1S/C27H31F5O5/c1-2-3-4-5-6-7-8-9-12-15-36-26(33)18-13-10-11-14-19(18)27(34)37-17-16-35-25-23(31)21(29)20(28)22(30)24(25)32/h10-11,13-14H,2-9,12,15-17H2,1H3
InChIKey OJZYUQBHWUAPND-UHFFFAOYSA-N
Mol Weight 530.53 g/mol
Molecular Formula C27H31F5O5
Exact Mass 530.209165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3de5v67nTPE
Name Phthalic acid, 2-(pentafluorophenoxy)ethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 530.209164908 u
Formula C27H31F5O5
InChI InChI=1S/C27H31F5O5/c1-2-3-4-5-6-7-8-9-12-15-36-26(33)18-13-10-11-14-19(18)27(34)37-17-16-35-25-23(31)21(29)20(28)22(30)24(25)32/h10-11,13-14H,2-9,12,15-17H2,1H3
InChIKey OJZYUQBHWUAPND-UHFFFAOYSA-N
Molecular Weight 530.532 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCCCCCC)=O