| SpectraBase Compound ID | EEKhElGjkaQ |
|---|---|
| InChI | InChI=1S/C16H11F3O3/c17-16(18,19)12-5-3-4-11(10-12)8-9-15(21)22-14-7-2-1-6-13(14)20/h1-10,20H/b9-8+ |
| InChIKey | PJPWSQCBJXKAKF-CMDGGOBGSA-N |
| Mol Weight | 308.26 g/mol |
| Molecular Formula | C16H11F3O3 |
| Exact Mass | 308.066029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HN9jrH4cVIw |
|---|---|
| Name | 1,2-Benzenediol, o-(trans-3-trifluoromethylcinnamoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.066028700 u |
| Formula | C16H11F3O3 |
| InChI | InChI=1S/C16H11F3O3/c17-16(18,19)12-5-3-4-11(10-12)8-9-15(21)22-14-7-2-1-6-13(14)20/h1-10,20H/b9-8+ |
| InChIKey | PJPWSQCBJXKAKF-CMDGGOBGSA-N |
| Molecular Weight | 308.256 g/mol |
| SMILES | C(C1=CC=CC(=C1)\C=C\C(OC1=CC=CC=C1O)=O)(F)(F)F |