| SpectraBase Compound ID | 5Cr8tYG0VAi |
|---|---|
| InChI | InChI=1S/C7H7F3O/c1-2-3-4-5-6(11)7(8,9)10/h2-3H2,1H3 |
| InChIKey | KFEXTGQZUJMQBG-UHFFFAOYSA-N |
| Mol Weight | 164.13 g/mol |
| Molecular Formula | C7H7F3O |
| Exact Mass | 164.044899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hw1BHX0mMGE |
|---|---|
| Name | 1,1,1-Trifluoromethylhept-3-yn-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.044899333 u |
| Formula | C7H7F3O |
| InChI | InChI=1S/C7H7F3O/c1-2-3-4-5-6(11)7(8,9)10/h2-3H2,1H3 |
| InChIKey | KFEXTGQZUJMQBG-UHFFFAOYSA-N |
| Molecular Weight | 164.127 g/mol |
| SMILES | C(=O)(C#CCCC)C(F)(F)F |