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 |
SpectraBase Spectrum ID | L1z9C2FS46r |
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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 |