| SpectraBase Compound ID | LyOIQU1fI8X |
|---|---|
| InChI | InChI=1S/C14H9F3O3/c15-14(16,17)10-7-5-9(6-8-10)13(19)20-12-4-2-1-3-11(12)18/h1-8,18H |
| InChIKey | NWYBKJVVUAPPDI-UHFFFAOYSA-N |
| Mol Weight | 282.22 g/mol |
| Molecular Formula | C14H9F3O3 |
| Exact Mass | 282.050379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gz8kI4WVF5l |
|---|---|
| Name | 1,2-Benzenediol, o-(4-trifluoromethylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.050378636 u |
| Formula | C14H9F3O3 |
| InChI | InChI=1S/C14H9F3O3/c15-14(16,17)10-7-5-9(6-8-10)13(19)20-12-4-2-1-3-11(12)18/h1-8,18H |
| InChIKey | NWYBKJVVUAPPDI-UHFFFAOYSA-N |
| Molecular Weight | 282.218 g/mol |
| SMILES | C1(=CC=CC=C1O)OC(=O)C1=CC=C(C(F)(F)F)C=C1 |