| SpectraBase Compound ID | JM11cPPADrC |
|---|---|
| InChI | InChI=1S/C16H29Cl2NO2/c1-2-3-4-9-14-19(15(20)10-5-7-12-17)16(21)11-6-8-13-18/h2-14H2,1H3 |
| InChIKey | AQBXHVHEIJYJDC-UHFFFAOYSA-N |
| Mol Weight | 338.32 g/mol |
| Molecular Formula | C16H29Cl2NO2 |
| Exact Mass | 337.157535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ymseI4DRDC |
|---|---|
| Name | Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.157534576 u |
| Formula | C16H29Cl2NO2 |
| InChI | InChI=1S/C16H29Cl2NO2/c1-2-3-4-9-14-19(15(20)10-5-7-12-17)16(21)11-6-8-13-18/h2-14H2,1H3 |
| InChIKey | AQBXHVHEIJYJDC-UHFFFAOYSA-N |
| Molecular Weight | 338.319 g/mol |
| SMILES | C(N(CCCCCC)C(=O)CCCCCl)(=O)CCCCCl |