![1-[2-(4-Methylphenyl)ethyl]piperazine](/api/spectrum/A0PptWjNpRi/structure.png?h=300&w=458 "1-[2-(4-Methylphenyl)ethyl]piperazine")
| SpectraBase Compound ID | 50QjTf0MDHP |
|---|---|
| InChI | InChI=1S/C13H20N2/c1-12-2-4-13(5-3-12)6-9-15-10-7-14-8-11-15/h2-5,14H,6-11H2,1H3 |
| InChIKey | JRGYVKJTCWLMNS-UHFFFAOYSA-N |
| Mol Weight | 204.32 g/mol |
| Molecular Formula | C13H20N2 |
| Exact Mass | 204.162649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0PptWjNpRi |
|---|---|
| Name | 1-[2-(4-Methylphenyl)ethyl]piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.162648652 u |
| Formula | C13H20N2 |
| InChI | InChI=1S/C13H20N2/c1-12-2-4-13(5-3-12)6-9-15-10-7-14-8-11-15/h2-5,14H,6-11H2,1H3 |
| InChIKey | JRGYVKJTCWLMNS-UHFFFAOYSA-N |
| Molecular Weight | 204.317 g/mol |
| SMILES | C1N(CCNC1)CCC=1C=CC(=CC1)C |