| SpectraBase Compound ID | 8wgnazeD2a6 |
|---|---|
| InChI | InChI=1S/C16H26N2/c1-13(2)12-17-7-9-18(10-8-17)16-6-5-14(3)15(4)11-16/h5-6,11,13H,7-10,12H2,1-4H3 |
| InChIKey | FDQLKLCJBQJSLU-UHFFFAOYSA-N |
| Mol Weight | 246.4 g/mol |
| Molecular Formula | C16H26N2 |
| Exact Mass | 246.209599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dg8BWmS5bHF |
|---|---|
| Name | 1-iso-Butyl-4-(3,4-dimethylphenyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.209598845 u |
| Formula | C16H26N2 |
| InChI | InChI=1S/C16H26N2/c1-13(2)12-17-7-9-18(10-8-17)16-6-5-14(3)15(4)11-16/h5-6,11,13H,7-10,12H2,1-4H3 |
| InChIKey | FDQLKLCJBQJSLU-UHFFFAOYSA-N |
| Molecular Weight | 246.398 g/mol |
| SMILES | C1(N2CCN(CC2)CC(C)C)=CC(=C(C=C1)C)C |