| SpectraBase Compound ID | KMdycppigrt |
|---|---|
| InChI | InChI=1S/C16H28ClNO3/c1-2-3-4-7-13-21-16(20)14-9-8-12-18(14)15(19)10-5-6-11-17/h14H,2-13H2,1H3 |
| InChIKey | GRHTVAACXZRWCD-UHFFFAOYSA-N |
| Mol Weight | 317.86 g/mol |
| Molecular Formula | C16H28ClNO3 |
| Exact Mass | 317.175771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7TzSFpIh0T |
|---|---|
| Name | L-Proline, N-(5-chlorovaleryl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.175771463 u |
| Formula | C16H28ClNO3 |
| InChI | InChI=1S/C16H28ClNO3/c1-2-3-4-7-13-21-16(20)14-9-8-12-18(14)15(19)10-5-6-11-17/h14H,2-13H2,1H3 |
| InChIKey | GRHTVAACXZRWCD-UHFFFAOYSA-N |
| Molecular Weight | 317.857 g/mol |
| SMILES | C(CC(N1CCCC1C(=O)OCCCCCC)=O)CCCl |