| SpectraBase Compound ID | FAdtFgRJNs2 |
|---|---|
| InChI | InChI=1S/C13H18N2O/c1-11-5-3-4-6-13(11)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3 |
| InChIKey | JBTQRFMTDYRGLH-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C13H18N2O |
| Exact Mass | 218.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41iFgvMApvT |
|---|---|
| Name | 1-Acetyl-4-(2-methylphenyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.141913207 u |
| Formula | C13H18N2O |
| InChI | InChI=1S/C13H18N2O/c1-11-5-3-4-6-13(11)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3 |
| InChIKey | JBTQRFMTDYRGLH-UHFFFAOYSA-N |
| Molecular Weight | 218.300 g/mol |
| SMILES | C=1(N2CCN(CC2)C(=O)C)C(=CC=CC1)C |