| SpectraBase Compound ID | 2WgwoXbYu0P |
|---|---|
| InChI | InChI=1S/C18H28N2O2/c1-2-3-4-5-8-19-9-11-20(12-10-19)14-16-6-7-17-18(13-16)22-15-21-17/h6-7,13H,2-5,8-12,14-15H2,1H3 |
| InChIKey | PYHZPDWYSXLJSN-UHFFFAOYSA-N |
| Mol Weight | 304.43 g/mol |
| Molecular Formula | C18H28N2O2 |
| Exact Mass | 304.215078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iN2a1foD9a |
|---|---|
| Name | 1-Hexyl-4-(3,4-methylenedioxyphenyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.215078148 u |
| Formula | C18H28N2O2 |
| InChI | InChI=1S/C18H28N2O2/c1-2-3-4-5-8-19-9-11-20(12-10-19)14-16-6-7-17-18(13-16)22-15-21-17/h6-7,13H,2-5,8-12,14-15H2,1H3 |
| InChIKey | PYHZPDWYSXLJSN-UHFFFAOYSA-N |
| SMILES | C=12C(=CC(CN3CCN(CC3)CCCCCC)=CC1)OCO2 |