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Phthalic acid, butyl 2-(pentafluorophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID 2bv6Hb0W10H
InChI InChI=1S/C20H17F5O5/c1-2-3-8-29-19(26)11-6-4-5-7-12(11)20(27)30-10-9-28-18-16(24)14(22)13(21)15(23)17(18)25/h4-7H,2-3,8-10H2,1H3
InChIKey TUIFYYVLBUQFOT-UHFFFAOYSA-N
Mol Weight 432.34 g/mol
Molecular Formula C20H17F5O5
Exact Mass 432.099614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60Pnnx1JNTY
Name Phthalic acid, butyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.099614457 u
Formula C20H17F5O5
InChI InChI=1S/C20H17F5O5/c1-2-3-8-29-19(26)11-6-4-5-7-12(11)20(27)30-10-9-28-18-16(24)14(22)13(21)15(23)17(18)25/h4-7H,2-3,8-10H2,1H3
InChIKey TUIFYYVLBUQFOT-UHFFFAOYSA-N
Molecular Weight 432.343 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCC)=O