| SpectraBase Compound ID | LInat7jzZ9C |
|---|---|
| InChI | InChI=1S/C15H28ClNO3/c1-4-5-8-11-20-15(19)14(12(2)3)17-13(18)9-6-7-10-16/h12,14H,4-11H2,1-3H3,(H,17,18) |
| InChIKey | XHDWNENBSOXOHU-UHFFFAOYSA-N |
| Mol Weight | 305.85 g/mol |
| Molecular Formula | C15H28ClNO3 |
| Exact Mass | 305.175771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cc7zCwZTbLF |
|---|---|
| Name | L-Valine, N-(5-chlorovaleryl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.175771463 u |
| Formula | C15H28ClNO3 |
| InChI | InChI=1S/C15H28ClNO3/c1-4-5-8-11-20-15(19)14(12(2)3)17-13(18)9-6-7-10-16/h12,14H,4-11H2,1-3H3,(H,17,18) |
| InChIKey | XHDWNENBSOXOHU-UHFFFAOYSA-N |
| Molecular Weight | 305.846 g/mol |
| SMILES | C(CCCC(NC(C(C)C)C(=O)OCCCCC)=O)Cl |