| SpectraBase Compound ID | 88BkCGUrAc1 |
|---|---|
| InChI | InChI=1S/C18H36ClNO/c1-5-8-12-17(7-3)15-20(16(4)11-6-2)18(21)13-9-10-14-19/h16-17H,5-15H2,1-4H3 |
| InChIKey | OKIALMTWFRBOLM-UHFFFAOYSA-N |
| Mol Weight | 317.9 g/mol |
| Molecular Formula | C18H36ClNO |
| Exact Mass | 317.248542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8zVReG5dCXL |
|---|---|
| Name | Valeramide, 5-chloro-N-(2-pentyl)-N-(2-ethylhexyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.248542482 u |
| Formula | C18H36ClNO |
| InChI | InChI=1S/C18H36ClNO/c1-5-8-12-17(7-3)15-20(16(4)11-6-2)18(21)13-9-10-14-19/h16-17H,5-15H2,1-4H3 |
| InChIKey | OKIALMTWFRBOLM-UHFFFAOYSA-N |
| Molecular Weight | 317.945 g/mol |
| SMILES | C(N(CC(CCCC)CC)C(CCC)C)(=O)CCCCCl |