| SpectraBase Compound ID | CLgpRS7OtDd |
|---|---|
| InChI | InChI=1S/C15H22N2O/c1-3-5-15(18)17-10-8-16(9-11-17)14-7-4-6-13(2)12-14/h4,6-7,12H,3,5,8-11H2,1-2H3 |
| InChIKey | NWJOBLAOVNJQRC-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C15H22N2O |
| Exact Mass | 246.173213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fdSz7uVUYE |
|---|---|
| Name | 1-(3-Methylphenyl)piperazine but |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.173213335 u |
| Formula | C15H22N2O |
| InChI | InChI=1S/C15H22N2O/c1-3-5-15(18)17-10-8-16(9-11-17)14-7-4-6-13(2)12-14/h4,6-7,12H,3,5,8-11H2,1-2H3 |
| InChIKey | NWJOBLAOVNJQRC-UHFFFAOYSA-N |
| Molecular Weight | 246.354 g/mol |
| SMILES | C1(N2CCN(C(CCC)=O)CC2)=CC(=CC=C1)C |