| SpectraBase Compound ID | IVTGznsWDow |
|---|---|
| InChI | InChI=1S/C13H17FN2O2/c1-2-18-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3 |
| InChIKey | APMYLJWDJDQZDW-UHFFFAOYSA-N |
| Mol Weight | 252.29 g/mol |
| Molecular Formula | C13H17FN2O2 |
| Exact Mass | 252.127406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkQdpg4LRMd |
|---|---|
| Name | Ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.127405956 u |
| Formula | C13H17FN2O2 |
| InChI | InChI=1S/C13H17FN2O2/c1-2-18-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3 |
| InChIKey | APMYLJWDJDQZDW-UHFFFAOYSA-N |
| Molecular Weight | 252.289 g/mol |
| SMILES | C(N1CCN(CC1)C=1C=CC(=CC1)F)(=O)OCC |