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2-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

View entire compound with spectra: 1 NMR

2-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 1humHRFo1S2
InChI InChI=1S/C13H7F11O2/c14-9(15)11(18,19)13(23,24)10(16,17)5-26-8(25)6-3-1-2-4-7(6)12(20,21)22/h1-4,9H,5H2
InChIKey VPUHCVJRBSAKGV-UHFFFAOYSA-N
Mol Weight 404.18 g/mol
Molecular Formula C13H7F11O2
Exact Mass 404.027039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID He8HvoTmKzn
Name 2-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.027039256 u
Formula C13H7F11O2
InChI InChI=1S/C13H7F11O2/c14-9(15)11(18,19)13(23,24)10(16,17)5-26-8(25)6-3-1-2-4-7(6)12(20,21)22/h1-4,9H,5H2
InChIKey VPUHCVJRBSAKGV-UHFFFAOYSA-N
Molecular Weight 404.179 g/mol
SMILES C1=CC=CC(=C1C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)C(F)(F)F