![1-[2-(4-Chloro-2-methylphenoxy)propanoyl]-4-ethylpiperazine](/api/spectrum/KmycuxSULqq/structure.png?h=300&w=458 "1-[2-(4-Chloro-2-methylphenoxy)propanoyl]-4-ethylpiperazine")
| SpectraBase Compound ID | COU7rthgKf0 |
|---|---|
| InChI | InChI=1S/C16H23ClN2O2/c1-4-18-7-9-19(10-8-18)16(20)13(3)21-15-6-5-14(17)11-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3 |
| InChIKey | POMWLMYAIFEDEB-UHFFFAOYSA-N |
| Mol Weight | 310.83 g/mol |
| Molecular Formula | C16H23ClN2O2 |
| Exact Mass | 310.144806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmycuxSULqq |
|---|---|
| Name | 1-[2-(4-Chloro-2-methylphenoxy)propanoyl]-4-ethylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.144805687 u |
| Formula | C16H23ClN2O2 |
| InChI | InChI=1S/C16H23ClN2O2/c1-4-18-7-9-19(10-8-18)16(20)13(3)21-15-6-5-14(17)11-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3 |
| InChIKey | POMWLMYAIFEDEB-UHFFFAOYSA-N |
| Molecular Weight | 310.825 g/mol |
| SMILES | C(N1CCN(CC1)CC)(C(OC=1C(=CC(=CC1)Cl)C)C)=O |