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2-Trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester
SpectraBase Compound ID 6zOwCQcjzAB
InChI InChI=1S/C14H5Cl4F3O2/c15-8-5-9(16)12(11(18)10(8)17)23-13(22)6-3-1-2-4-7(6)14(19,20)21/h1-5H
InChIKey RUJHGXNPYABLOD-UHFFFAOYSA-N
Mol Weight 404.0 g/mol
Molecular Formula C14H5Cl4F3O2
Exact Mass 401.899575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1z9C2FS46r
Name 2-Trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.899574688 u
Formula C14H5Cl4F3O2
InChI InChI=1S/C14H5Cl4F3O2/c15-8-5-9(16)12(11(18)10(8)17)23-13(22)6-3-1-2-4-7(6)14(19,20)21/h1-5H
InChIKey RUJHGXNPYABLOD-UHFFFAOYSA-N
Molecular Weight 403.999 g/mol
SMILES C1=CC=CC(=C1C(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl)C(F)(F)F