| SpectraBase Compound ID | FmlSaCu92Yv |
|---|---|
| InChI | InChI=1S/C13H26ClNO/c1-4-6-11-15(12(3)5-2)13(16)9-7-8-10-14/h12H,4-11H2,1-3H3 |
| InChIKey | BKXJTPLYLQRYKR-UHFFFAOYSA-N |
| Mol Weight | 247.81 g/mol |
| Molecular Formula | C13H26ClNO |
| Exact Mass | 247.170292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lOwbwBVRm2 |
|---|---|
| Name | Valeramide, 5-chloro-N-(2-butyl)-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.170292160 u |
| Formula | C13H26ClNO |
| InChI | InChI=1S/C13H26ClNO/c1-4-6-11-15(12(3)5-2)13(16)9-7-8-10-14/h12H,4-11H2,1-3H3 |
| InChIKey | BKXJTPLYLQRYKR-UHFFFAOYSA-N |
| Molecular Weight | 247.810 g/mol |
| SMILES | C(N(CCCC)C(CC)C)(=O)CCCCCl |