| SpectraBase Compound ID | KG9nri3WqWl |
|---|---|
| InChI | InChI=1S/C8H12ClNO3/c1-13-8(12)6-3-2-4-10(6)7(11)5-9/h6H,2-5H2,1H3/t6-/m0/s1 |
| InChIKey | YYUKRFPRBNDTQF-LURJTMIESA-N |
| Mol Weight | 205.64 g/mol |
| Molecular Formula | C8H12ClNO3 |
| Exact Mass | 205.050571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7H2dEL0vlUm |
|---|---|
| Name | (2S)-1-(2-Chloro-1-oxoethyl)-2-pyrrolidinecarboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.050570947 u |
| Formula | C8H12ClNO3 |
| InChI | InChI=1S/C8H12ClNO3/c1-13-8(12)6-3-2-4-10(6)7(11)5-9/h6H,2-5H2,1H3/t6-/m0/s1 |
| InChIKey | YYUKRFPRBNDTQF-LURJTMIESA-N |
| Molecular Weight | 205.641 g/mol |
| SMILES | [C@]1(N(CCC1)C(=O)CCl)(C(=O)OC)[H] |