| SpectraBase Compound ID | 4N8bhWmfQd7 |
|---|---|
| InChI | InChI=1S/C16H11F3O5/c1-22-15(21)24-11-6-4-5-10(9-11)23-14(20)12-7-2-3-8-13(12)16(17,18)19/h2-9H,1H3 |
| InChIKey | FKVNTIPTDHGQHA-UHFFFAOYSA-N |
| Mol Weight | 340.25 g/mol |
| Molecular Formula | C16H11F3O5 |
| Exact Mass | 340.055858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdPRq9gFLE9 |
|---|---|
| Name | 1,3-Benzenediol, o-methoxycarbonyl-o'-(2-trifluoromethylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.055857938 u |
| Formula | C16H11F3O5 |
| InChI | InChI=1S/C16H11F3O5/c1-22-15(21)24-11-6-4-5-10(9-11)23-14(20)12-7-2-3-8-13(12)16(17,18)19/h2-9H,1H3 |
| InChIKey | FKVNTIPTDHGQHA-UHFFFAOYSA-N |
| Molecular Weight | 340.254 g/mol |
| SMILES | C1(=CC=CC(=C1)OC(=O)C1=C(C=CC=C1)C(F)(F)F)OC(OC)=O |