| SpectraBase Compound ID | LQKZXYION6v |
|---|---|
| InChI | InChI=1S/C14H26ClNO3/c1-3-4-5-8-11-19-14(18)12(2)16-13(17)9-6-7-10-15/h12H,3-11H2,1-2H3,(H,16,17) |
| InChIKey | JAYPLEGBRSWVSE-UHFFFAOYSA-N |
| Mol Weight | 291.82 g/mol |
| Molecular Formula | C14H26ClNO3 |
| Exact Mass | 291.160121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Vn8e2D7y7P |
|---|---|
| Name | D-Alanine, N-(5-chlorovaleryl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.160121398 u |
| Formula | C14H26ClNO3 |
| InChI | InChI=1S/C14H26ClNO3/c1-3-4-5-8-11-19-14(18)12(2)16-13(17)9-6-7-10-15/h12H,3-11H2,1-2H3,(H,16,17) |
| InChIKey | JAYPLEGBRSWVSE-UHFFFAOYSA-N |
| SMILES | CC(NC(=O)CCCCCl)C(OCCCCCC)=O |