| SpectraBase Compound ID | BhMHcICNJ0W |
|---|---|
| InChI | InChI=1S/C13H18ClNO/c1-2-10-15(13(16)8-9-14)11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | LAHSFYCJQUVGOH-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 | DZuk2x1kOpZ |
|---|---|
| Name | Propionamide, 3-chloro-N-benzyl-N-propyl- |
| 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/c1-2-10-15(13(16)8-9-14)11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | LAHSFYCJQUVGOH-UHFFFAOYSA-N |
| Molecular Weight | 239.746 g/mol |
| SMILES | C(N(CCC)CC=1C=CC=CC1)(=O)CCCl |