| SpectraBase Compound ID | 4VPvyjQQP0 |
|---|---|
| InChI | InChI=1S/C14H28ClNO/c1-4-6-9-12-16(13(3)5-2)14(17)10-7-8-11-15/h13H,4-12H2,1-3H3 |
| InChIKey | KMCKWMGCOFVTOI-UHFFFAOYSA-N |
| Mol Weight | 261.84 g/mol |
| Molecular Formula | C14H28ClNO |
| Exact Mass | 261.185942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Db4pJhyVXqG |
|---|---|
| Name | Valeramide, 5-chloro-N-(2-butyl)-N-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.185942225 u |
| Formula | C14H28ClNO |
| InChI | InChI=1S/C14H28ClNO/c1-4-6-9-12-16(13(3)5-2)14(17)10-7-8-11-15/h13H,4-12H2,1-3H3 |
| InChIKey | KMCKWMGCOFVTOI-UHFFFAOYSA-N |
| Molecular Weight | 261.837 g/mol |
| SMILES | C(N(CCCCC)C(CC)C)(=O)CCCCCl |