| SpectraBase Compound ID | 4v4HEcMGY5k |
|---|---|
| InChI | InChI=1S/C16H32ClNO/c1-4-7-10-15(6-3)14-18(13-5-2)16(19)11-8-9-12-17/h15H,4-14H2,1-3H3 |
| InChIKey | PTJHQJUCCJEVAF-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 | ceg6QBEef1 |
|---|---|
| Name | Valeramide, 5-chloro-N-propyl-N-(2-ethylhexyl)- |
| 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/c1-4-7-10-15(6-3)14-18(13-5-2)16(19)11-8-9-12-17/h15H,4-14H2,1-3H3 |
| InChIKey | PTJHQJUCCJEVAF-UHFFFAOYSA-N |
| Molecular Weight | 289.891 g/mol |
| SMILES | C(N(CCC)CC(CCCC)CC)(=O)CCCCCl |