| SpectraBase Compound ID | 7ntP9GU2IV4 |
|---|---|
| InChI | InChI=1S/C10H9F3O/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | IRWRIGHYGSXWOL-UHFFFAOYSA-N |
| Mol Weight | 202.18 g/mol |
| Molecular Formula | C10H9F3O |
| Exact Mass | 202.060549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7vvWclSfQ3 |
|---|---|
| Name | 4,4,4-Trifluoro-1-phenylbutan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.060549398 u |
| Formula | C10H9F3O |
| InChI | InChI=1S/C10H9F3O/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | IRWRIGHYGSXWOL-UHFFFAOYSA-N |
| Molecular Weight | 202.176 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)CCC(F)(F)F |