| SpectraBase Compound ID | FqE2oZn5OgX |
|---|---|
| InChI | InChI=1S/C13H18ClNO/c1-3-15(13(16)11(2)14)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3 |
| InChIKey | ZPWMHCGGMGOLMB-UHFFFAOYSA-N |
| Mol Weight | 239.75 g/mol |
| Molecular Formula | C13H18ClNO |
| Exact Mass | 239.107692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErIiH9lyjPd |
|---|---|
| Name | 2-Chloropropanoyl amide, N-(2-phenylethyl)-N-ethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.107691903 u |
| Formula | C13H18ClNO |
| InChI | InChI=1S/C13H18ClNO/c1-3-15(13(16)11(2)14)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3 |
| InChIKey | ZPWMHCGGMGOLMB-UHFFFAOYSA-N |
| Molecular Weight | 239.746 g/mol |
| SMILES | CC(Cl)C(=O)N(CC)CCC1=CC=CC=C1 |