| SpectraBase Compound ID | AgUDmNAHqn1 |
|---|---|
| InChI | InChI=1S/C12H18FN3/c1-2-15-5-7-16(8-6-15)12-4-3-10(14)9-11(12)13/h3-4,9H,2,5-8,14H2,1H3 |
| InChIKey | IRLDCHVGDGNGFK-UHFFFAOYSA-N |
| Mol Weight | 223.3 g/mol |
| Molecular Formula | C12H18FN3 |
| Exact Mass | 223.148476 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80M6ImhMFfk |
|---|---|
| Name | 4-(4-Ethyl-1-piperazinyl)-3-fluoroaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.148475755 u |
| Formula | C12H18FN3 |
| InChI | InChI=1S/C12H18FN3/c1-2-15-5-7-16(8-6-15)12-4-3-10(14)9-11(12)13/h3-4,9H,2,5-8,14H2,1H3 |
| InChIKey | IRLDCHVGDGNGFK-UHFFFAOYSA-N |
| Molecular Weight | 223.295 g/mol |
| SMILES | C1(F)=C(C=CC(=C1)N)N1CCN(CC1)CC |