| SpectraBase Compound ID | 3lxJLG9DQTk |
|---|---|
| InChI | InChI=1S/C13H26ClNO/c1-3-5-8-12(4-2)11-15-13(16)9-6-7-10-14/h12H,3-11H2,1-2H3,(H,15,16) |
| InChIKey | NQNCMKCHFSDKSW-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 | FtJ1HBv5oGP |
|---|---|
| Name | Valeramide, 5-chloro-N-(2-ethylhexyl)- |
| 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/c1-3-5-8-12(4-2)11-15-13(16)9-6-7-10-14/h12H,3-11H2,1-2H3,(H,15,16) |
| InChIKey | NQNCMKCHFSDKSW-UHFFFAOYSA-N |
| Molecular Weight | 247.810 g/mol |
| SMILES | C(NCC(CCCC)CC)(=O)CCCCCl |