![1-[(2-Chlorophenoxy)acetyl]piperazine](/api/spectrum/9eBsup96YYX/structure.png?h=300&w=458 "1-[(2-Chlorophenoxy)acetyl]piperazine")
| SpectraBase Compound ID | JSQX3nkoNEe |
|---|---|
| InChI | InChI=1S/C12H15ClN2O2/c13-10-3-1-2-4-11(10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2 |
| InChIKey | BGRYCPZHNVWQHR-UHFFFAOYSA-N |
| Mol Weight | 254.72 g/mol |
| Molecular Formula | C12H15ClN2O2 |
| Exact Mass | 254.082205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eBsup96YYX |
|---|---|
| Name | 1-[(2-Chlorophenoxy)acetyl]piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.082205429 u |
| Formula | C12H15ClN2O2 |
| InChI | InChI=1S/C12H15ClN2O2/c13-10-3-1-2-4-11(10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2 |
| InChIKey | BGRYCPZHNVWQHR-UHFFFAOYSA-N |
| Molecular Weight | 254.717 g/mol |
| SMILES | C(OC1=C(Cl)C=CC=C1)C(=O)N1CCNCC1 |