| SpectraBase Compound ID | DCs3PxaWREN |
|---|---|
| InChI | InChI=1S/C20H26N2/c1-17-8-9-20(16-18(17)2)22-14-12-21(13-15-22)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3 |
| InChIKey | JBJYSNMBWDHEIT-UHFFFAOYSA-N |
| Mol Weight | 294.44 g/mol |
| Molecular Formula | C20H26N2 |
| Exact Mass | 294.209599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4hR6DfGAiq |
|---|---|
| Name | 1-(3,4-Dimethylphenyl)-4-phenethylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.209598845 u |
| Formula | C20H26N2 |
| InChI | InChI=1S/C20H26N2/c1-17-8-9-20(16-18(17)2)22-14-12-21(13-15-22)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3 |
| InChIKey | JBJYSNMBWDHEIT-UHFFFAOYSA-N |
| SMILES | C1(N2CCN(CC2)CCC=2C=CC=CC2)=CC(=C(C=C1)C)C |