![(3Z)-4-[4-(Trifluoromethyl)phenyl]-3-buten-2-one](/api/spectrum/Abas5KzEfEs/structure.png?h=300&w=458 "(3Z)-4-[4-(Trifluoromethyl)phenyl]-3-buten-2-one")
| SpectraBase Compound ID | 6znRDotXbLa |
|---|---|
| InChI | InChI=1S/C11H9F3O/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h2-7H,1H3/b3-2+ |
| InChIKey | PHVQEHOBDSECPV-NSCUHMNNSA-N |
| Mol Weight | 214.19 g/mol |
| Molecular Formula | C11H9F3O |
| Exact Mass | 214.060549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Abas5KzEfEs |
|---|---|
| Name | (3Z)-4-[4-(Trifluoromethyl)phenyl]-3-buten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.060549398 u |
| Formula | C11H9F3O |
| InChI | InChI=1S/C11H9F3O/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h2-7H,1H3/b3-2+ |
| InChIKey | PHVQEHOBDSECPV-NSCUHMNNSA-N |
| Molecular Weight | 214.187 g/mol |
| SMILES | C(C1=CC=C(\C=C\C(=O)C)C=C1)(F)(F)F |