| SpectraBase Compound ID | 47QdW0cTgqh |
|---|---|
| InChI | InChI=1S/C21H42ClNO/c1-4-6-7-8-9-10-11-12-15-19-23(20(3)16-5-2)21(24)17-13-14-18-22/h20H,4-19H2,1-3H3 |
| InChIKey | GBGYMTDEQUNMLF-UHFFFAOYSA-N |
| Mol Weight | 360.0 g/mol |
| Molecular Formula | C21H42ClNO |
| Exact Mass | 359.295493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6f81HhUuGqQ |
|---|---|
| Name | Valeramide, 5-chloro-N-(2-pentyl)-N-undecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.295492675 u |
| Formula | C21H42ClNO |
| InChI | InChI=1S/C21H42ClNO/c1-4-6-7-8-9-10-11-12-15-19-23(20(3)16-5-2)21(24)17-13-14-18-22/h20H,4-19H2,1-3H3 |
| InChIKey | GBGYMTDEQUNMLF-UHFFFAOYSA-N |
| Molecular Weight | 360.026 g/mol |
| SMILES | C(N(CCCCCCCCCCC)C(CCC)C)(=O)CCCCCl |