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Phthalic acid, dodecyl 2-(pentafluorophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID PlqDzyLM3d
InChI InChI=1S/C28H33F5O5/c1-2-3-4-5-6-7-8-9-10-13-16-37-27(34)19-14-11-12-15-20(19)28(35)38-18-17-36-26-24(32)22(30)21(29)23(31)25(26)33/h11-12,14-15H,2-10,13,16-18H2,1H3
InChIKey URGONQIAFQXCSG-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C28H33F5O5
Exact Mass 544.224815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IqN1XUYEV3
Name Phthalic acid, dodecyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 544.224814973 u
Formula C28H33F5O5
InChI InChI=1S/C28H33F5O5/c1-2-3-4-5-6-7-8-9-10-13-16-37-27(34)19-14-11-12-15-20(19)28(35)38-18-17-36-26-24(32)22(30)21(29)23(31)25(26)33/h11-12,14-15H,2-10,13,16-18H2,1H3
InChIKey URGONQIAFQXCSG-UHFFFAOYSA-N
Molecular Weight 544.559 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCCCCCCC)=O