| SpectraBase Compound ID | JD3jpfVPIDb |
|---|---|
| InChI | InChI=1S/C15H22N2O/c1-3-4-15(18)17-11-9-16(10-12-17)14-7-5-13(2)6-8-14/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | YMESZBRVIZDEQD-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 | F3hL3I0CQTY |
|---|---|
| Name | 1-(4-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/c1-3-4-15(18)17-11-9-16(10-12-17)14-7-5-13(2)6-8-14/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | YMESZBRVIZDEQD-UHFFFAOYSA-N |
| Molecular Weight | 246.354 g/mol |
| SMILES | C=1(N2CCN(C(CCC)=O)CC2)C=CC(=CC1)C |