| SpectraBase Compound ID | ElGNwHbAWFL |
|---|---|
| InChI | InChI=1S/C12H11F5N2O/c1-18-2-4-19(5-3-18)12(20)6-7(13)9(15)11(17)10(16)8(6)14/h2-5H2,1H3 |
| InChIKey | GQIZQWHXAFCXAW-UHFFFAOYSA-N |
| Mol Weight | 294.23 g/mol |
| Molecular Formula | C12H11F5N2O |
| Exact Mass | 294.079154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5HF1npOn0hd |
|---|---|
| Name | 1-Methyl-4-(2,3,4,5,6-pentafluorobenzoyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.079153796 u |
| Formula | C12H11F5N2O |
| InChI | InChI=1S/C12H11F5N2O/c1-18-2-4-19(5-3-18)12(20)6-7(13)9(15)11(17)10(16)8(6)14/h2-5H2,1H3 |
| InChIKey | GQIZQWHXAFCXAW-UHFFFAOYSA-N |
| Molecular Weight | 294.225 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)F)F)C(N1CCN(C)CC1)=O |