| SpectraBase Compound ID | AzuYf8CgOOX |
|---|---|
| InChI | InChI=1S/C14H3F9O2/c15-6-4(2-1-3-5(6)14(21,22)23)13(24)25-12-10(19)8(17)7(16)9(18)11(12)20/h1-3H |
| InChIKey | XMMGVKQHXGODAB-UHFFFAOYSA-N |
| Mol Weight | 374.16 g/mol |
| Molecular Formula | C14H3F9O2 |
| Exact Mass | 373.998933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5P2NwNlS4t |
|---|---|
| Name | 2-Fluoro-3-trifluoromethylbenzoic acid, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.998932802 u |
| Formula | C14H3F9O2 |
| InChI | InChI=1S/C14H3F9O2/c15-6-4(2-1-3-5(6)14(21,22)23)13(24)25-12-10(19)8(17)7(16)9(18)11(12)20/h1-3H |
| InChIKey | XMMGVKQHXGODAB-UHFFFAOYSA-N |
| Molecular Weight | 374.162 g/mol |
| SMILES | C1(=C(C=CC=C1C(F)(F)F)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)F |