| SpectraBase Compound ID | xmfUsU7z7r |
|---|---|
| InChI | InChI=1S/C7H13ClN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3 |
| InChIKey | OTHMDVZIZBUTIE-UHFFFAOYSA-N |
| Mol Weight | 176.65 g/mol |
| Molecular Formula | C7H13ClN2O |
| Exact Mass | 176.071641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTZAqfUUSBO |
|---|---|
| Name | 1-(Chloroacetyl)-4-methylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.071640746 u |
| Formula | C7H13ClN2O |
| InChI | InChI=1S/C7H13ClN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3 |
| InChIKey | OTHMDVZIZBUTIE-UHFFFAOYSA-N |
| Molecular Weight | 176.647 g/mol |
| SMILES | C(Cl)C(=O)N1CCN(C)CC1 |