| SpectraBase Compound ID | J5dyO8zR5zG |
|---|---|
| InChI | InChI=1S/C11H18ClNO3/c1-16-11(15)9-5-4-8-13(9)10(14)6-2-3-7-12/h9H,2-8H2,1H3 |
| InChIKey | OBAXQHFPWSIRJV-UHFFFAOYSA-N |
| Mol Weight | 247.72 g/mol |
| Molecular Formula | C11H18ClNO3 |
| Exact Mass | 247.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQ3R3wqeXq6 |
|---|---|
| Name | L-Proline, N-(5-chlorovaleryl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.097521141 u |
| Formula | C11H18ClNO3 |
| InChI | InChI=1S/C11H18ClNO3/c1-16-11(15)9-5-4-8-13(9)10(14)6-2-3-7-12/h9H,2-8H2,1H3 |
| InChIKey | OBAXQHFPWSIRJV-UHFFFAOYSA-N |
| Molecular Weight | 247.722 g/mol |
| SMILES | COC(=O)C1N(C(CCCCCl)=O)CCC1 |