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Phthalic acid, 2-(pentafluorophenoxy)ethyl tetradecyl ester

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Phthalic acid, 2-(pentafluorophenoxy)ethyl tetradecyl ester
SpectraBase Compound ID DBH3pJeFPGe
InChI InChI=1S/C30H37F5O5/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-39-29(36)21-16-13-14-17-22(21)30(37)40-20-19-38-28-26(34)24(32)23(31)25(33)27(28)35/h13-14,16-17H,2-12,15,18-20H2,1H3
InChIKey CTYCSPHHHLHKHM-UHFFFAOYSA-N
Mol Weight 572.6 g/mol
Molecular Formula C30H37F5O5
Exact Mass 572.256115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dga4SdHvyLA
Name Phthalic acid, 2-(pentafluorophenoxy)ethyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 572.256115101 u
Formula C30H37F5O5
InChI InChI=1S/C30H37F5O5/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-39-29(36)21-16-13-14-17-22(21)30(37)40-20-19-38-28-26(34)24(32)23(31)25(33)27(28)35/h13-14,16-17H,2-12,15,18-20H2,1H3
InChIKey CTYCSPHHHLHKHM-UHFFFAOYSA-N
Molecular Weight 572.613 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCCCCCCCCC)=O