| SpectraBase Compound ID | 5Z3d6SfnkH4 |
|---|---|
| InChI | InChI=1S/C18H22ClN3/c1-20-16-7-8-18(17(19)13-16)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13,20H,9-12,14H2,1H3 |
| InChIKey | MSDUZYUZZGCLIO-UHFFFAOYSA-N |
| Mol Weight | 315.85 g/mol |
| Molecular Formula | C18H22ClN3 |
| Exact Mass | 315.150225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7Sx2HGFDJG |
|---|---|
| Name | 4-(4-Benzylpiperazin-1-yl)-3-chloroaniline, N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.150225420 u |
| Formula | C18H22ClN3 |
| InChI | InChI=1S/C18H22ClN3/c1-20-16-7-8-18(17(19)13-16)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13,20H,9-12,14H2,1H3 |
| InChIKey | MSDUZYUZZGCLIO-UHFFFAOYSA-N |
| Molecular Weight | 315.848 g/mol |
| SMILES | C1(Cl)=C(N2CCN(CC2)CC2=CC=CC=C2)C=CC(=C1)NC |