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Terephthalic acid, 1-(pentafluorophenyl)ethyl propyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 1-(pentafluorophenyl)ethyl propyl ester
SpectraBase Compound ID z33Jo9icmt
InChI InChI=1S/C19H15F5O4/c1-3-8-27-18(25)10-4-6-11(7-5-10)19(26)28-9(2)12-13(20)15(22)17(24)16(23)14(12)21/h4-7,9H,3,8H2,1-2H3
InChIKey BYFZRFAAFJWWND-UHFFFAOYSA-N
Mol Weight 402.32 g/mol
Molecular Formula C19H15F5O4
Exact Mass 402.08905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InAYH00A58B
Name Terephthalic acid, 1-(pentafluorophenyl)ethyl propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.089049774 u
Formula C19H15F5O4
InChI InChI=1S/C19H15F5O4/c1-3-8-27-18(25)10-4-6-11(7-5-10)19(26)28-9(2)12-13(20)15(22)17(24)16(23)14(12)21/h4-7,9H,3,8H2,1-2H3
InChIKey BYFZRFAAFJWWND-UHFFFAOYSA-N
Molecular Weight 402.317 g/mol
SMILES C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OC(C1=C(C(=C(C(=C1F)F)F)F)F)C