| SpectraBase Compound ID | LjXgZt5uJl1 |
|---|---|
| InChI | InChI=1S/C12H9F3O3/c1-18-11(17)9(12(13,14)15)7-10(16)8-5-3-2-4-6-8/h2-7H,1H3/b9-7- |
| InChIKey | ZGWDRKPWHYSMEZ-CLFYSBASSA-N |
| Mol Weight | 258.2 g/mol |
| Molecular Formula | C12H9F3O3 |
| Exact Mass | 258.050379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7913ty9BWT8 |
|---|---|
| Name | Methyl 4-oxo-4-phenyl-2-(trifluoromethyl)but-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.050378636 u |
| Formula | C12H9F3O3 |
| InChI | InChI=1S/C12H9F3O3/c1-18-11(17)9(12(13,14)15)7-10(16)8-5-3-2-4-6-8/h2-7H,1H3/b9-7- |
| InChIKey | ZGWDRKPWHYSMEZ-CLFYSBASSA-N |
| Molecular Weight | 258.196 g/mol |
| SMILES | C1=CC(=CC=C1)C(\C=C\(C(OC)=O)C(F)(F)F)=O |