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Phthalic acid, 2-(pentafluorophenoxy)ethyl propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 2-(pentafluorophenoxy)ethyl propyl ester
SpectraBase Compound ID 9Sv8pdbJsMt
InChI InChI=1S/C19H15F5O5/c1-2-7-28-18(25)10-5-3-4-6-11(10)19(26)29-9-8-27-17-15(23)13(21)12(20)14(22)16(17)24/h3-6H,2,7-9H2,1H3
InChIKey JRFJUTWTBSTMTE-UHFFFAOYSA-N
Mol Weight 418.32 g/mol
Molecular Formula C19H15F5O5
Exact Mass 418.083964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PR0tU5zZTL
Name Phthalic acid, 2-(pentafluorophenoxy)ethyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.083964393 u
Formula C19H15F5O5
InChI InChI=1S/C19H15F5O5/c1-2-7-28-18(25)10-5-3-4-6-11(10)19(26)29-9-8-27-17-15(23)13(21)12(20)14(22)16(17)24/h3-6H,2,7-9H2,1H3
InChIKey JRFJUTWTBSTMTE-UHFFFAOYSA-N
Molecular Weight 418.316 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCC)=O