| SpectraBase Compound ID | CCJDiv8pGIq |
|---|---|
| InChI | InChI=1S/C16H24ClNO/c1-3-4-8-12-18(16(19)14(2)17)13-11-15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3 |
| InChIKey | PGCNBGDJOPNULS-UHFFFAOYSA-N |
| Mol Weight | 281.83 g/mol |
| Molecular Formula | C16H24ClNO |
| Exact Mass | 281.154642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uKp1z71Mk5 |
|---|---|
| Name | 2-Chloropropanoyl amide, N-(2-phenylethyl)-N-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.154642096 u |
| Formula | C16H24ClNO |
| InChI | InChI=1S/C16H24ClNO/c1-3-4-8-12-18(16(19)14(2)17)13-11-15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3 |
| InChIKey | PGCNBGDJOPNULS-UHFFFAOYSA-N |
| SMILES | CC(Cl)C(=O)N(CCCCC)CCC1=CC=CC=C1 |