| SpectraBase Compound ID | DxDJ0ldgsUe |
|---|---|
| InChI | InChI=1S/C9H16ClNO3/c1-7(9(13)14-2)11-8(12)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12) |
| InChIKey | XARKWCNFPJCPGN-UHFFFAOYSA-N |
| Mol Weight | 221.68 g/mol |
| Molecular Formula | C9H16ClNO3 |
| Exact Mass | 221.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NnpkRG8XQ9 |
|---|---|
| Name | L-Alanine, N-(5-chlorovaleryl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.081871076 u |
| Formula | C9H16ClNO3 |
| InChI | InChI=1S/C9H16ClNO3/c1-7(9(13)14-2)11-8(12)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12) |
| InChIKey | XARKWCNFPJCPGN-UHFFFAOYSA-N |
| Molecular Weight | 221.684 g/mol |
| SMILES | C(C)(C(OC)=O)NC(=O)CCCCCl |