| SpectraBase Compound ID | JdXrIW5dU3W |
|---|---|
| InChI | InChI=1S/C14H17F3N2O2/c1-21-12-4-2-3-11(9-12)10-18-5-7-19(8-6-18)13(20)14(15,16)17/h2-4,9H,5-8,10H2,1H3 |
| InChIKey | NHQKXNYABDYYRW-UHFFFAOYSA-N |
| Mol Weight | 302.3 g/mol |
| Molecular Formula | C14H17F3N2O2 |
| Exact Mass | 302.124212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nOImd46x5l |
|---|---|
| Name | 2,2,2-Trifluoro-1-(4-(3-methoxybenzyl)piperazin-1-yl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.124212282 u |
| Formula | C14H17F3N2O2 |
| InChI | InChI=1S/C14H17F3N2O2/c1-21-12-4-2-3-11(9-12)10-18-5-7-19(8-6-18)13(20)14(15,16)17/h2-4,9H,5-8,10H2,1H3 |
| InChIKey | NHQKXNYABDYYRW-UHFFFAOYSA-N |
| Molecular Weight | 302.297 g/mol |
| SMILES | C(N1CCN(CC1)C(=O)C(F)(F)F)C1=CC(=CC=C1)OC |