| SpectraBase Compound ID | 9DniIRrISkq |
|---|---|
| InChI | InChI=1S/C14H13F7N2O/c15-12(16,13(17,18)14(19,20)21)11(24)23-8-6-22(7-9-23)10-4-2-1-3-5-10/h1-5H,6-9H2 |
| InChIKey | UIPQZQRACZEVPW-UHFFFAOYSA-N |
| Mol Weight | 358.26 g/mol |
| Molecular Formula | C14H13F7N2O |
| Exact Mass | 358.09161 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5R3M3S9UsEj |
|---|---|
| Name | 1-Phenylpiperazine, N-hfb |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.091610187 u |
| Formula | C14H13F7N2O |
| InChI | InChI=1S/C14H13F7N2O/c15-12(16,13(17,18)14(19,20)21)11(24)23-8-6-22(7-9-23)10-4-2-1-3-5-10/h1-5H,6-9H2 |
| InChIKey | UIPQZQRACZEVPW-UHFFFAOYSA-N |
| Molecular Weight | 358.260 g/mol |
| SMILES | C1(=CC=CC=C1)N1CCN(CC1)C(C(F)(F)C(F)(F)C(F)(F)F)=O |