| SpectraBase Compound ID | ILTnPOIunJD |
|---|---|
| InChI | InChI=1S/C16H26N2/c1-3-4-5-9-17-10-12-18(13-11-17)16-8-6-7-15(2)14-16/h6-8,14H,3-5,9-13H2,1-2H3 |
| InChIKey | DAWHRKUXTXGHOD-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 | IfdDgQLeDU0 |
|---|---|
| Name | 1-(3-Methylphenyl)-4-pentylpiperazine |
| 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/c1-3-4-5-9-17-10-12-18(13-11-17)16-8-6-7-15(2)14-16/h6-8,14H,3-5,9-13H2,1-2H3 |
| InChIKey | DAWHRKUXTXGHOD-UHFFFAOYSA-N |
| Molecular Weight | 246.398 g/mol |
| SMILES | C1(N2CCN(CC2)CCCCC)=CC(=CC=C1)C |