| SpectraBase Compound ID | Jp26OdJ8fdU |
|---|---|
| InChI | InChI=1S/C17H20ClN3/c18-16-12-15(19)6-7-17(16)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,19H2 |
| InChIKey | GASJCBVHHUXXCQ-UHFFFAOYSA-N |
| Mol Weight | 301.82 g/mol |
| Molecular Formula | C17H20ClN3 |
| Exact Mass | 301.134575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3kPccj2sUmY |
|---|---|
| Name | 4-(4-Benzylpiperazin-1-yl)-3-chloroaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.134575356 u |
| Formula | C17H20ClN3 |
| InChI | InChI=1S/C17H20ClN3/c18-16-12-15(19)6-7-17(16)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,19H2 |
| InChIKey | GASJCBVHHUXXCQ-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(N2CCN(CC2)CC2=CC=CC=C2)C=CC(=C1)N |