| SpectraBase Compound ID | 7mC6HRXxaJz |
|---|---|
| InChI | InChI=1S/C14H9F3O3/c15-14(16,17)10-4-1-3-9(7-10)13(19)20-12-6-2-5-11(18)8-12/h1-8,18H |
| InChIKey | XXQGSEGFJQHDJZ-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 | HSSQKYX0Sam |
|---|---|
| Name | 1,3-Benzenediol, o-(3-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)10-4-1-3-9(7-10)13(19)20-12-6-2-5-11(18)8-12/h1-8,18H |
| InChIKey | XXQGSEGFJQHDJZ-UHFFFAOYSA-N |
| Molecular Weight | 282.218 g/mol |
| SMILES | C1=C(C=CC=C1O)OC(=O)C1=CC(=CC=C1)C(F)(F)F |