| SpectraBase Compound ID | 3Agxcxnhk8Q |
|---|---|
| InChI | InChI=1S/C16H32ClNO/c1-4-6-7-8-11-14-18(15(3)5-2)16(19)12-9-10-13-17/h15H,4-14H2,1-3H3 |
| InChIKey | DIXPFJWOKCCIOK-UHFFFAOYSA-N |
| Mol Weight | 289.9 g/mol |
| Molecular Formula | C16H32ClNO |
| Exact Mass | 289.217242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A2dBp738zBw |
|---|---|
| Name | Valeramide, 5-chloro-N-(2-butyl)-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.217242353 u |
| Formula | C16H32ClNO |
| InChI | InChI=1S/C16H32ClNO/c1-4-6-7-8-11-14-18(15(3)5-2)16(19)12-9-10-13-17/h15H,4-14H2,1-3H3 |
| InChIKey | DIXPFJWOKCCIOK-UHFFFAOYSA-N |
| Molecular Weight | 289.891 g/mol |
| SMILES | C(N(CCCCCCC)C(CC)C)(=O)CCCCCl |