| SpectraBase Compound ID | 2szw7r1tqpu |
|---|---|
| InChI | InChI=1S/C9H16ClNO4/c1-3-5-14-8(12)7(2)11-9(13)15-6-4-10/h7H,3-6H2,1-2H3,(H,11,13) |
| InChIKey | ORENOYYIANKZPZ-UHFFFAOYSA-N |
| Mol Weight | 237.68 g/mol |
| Molecular Formula | C9H16ClNO4 |
| Exact Mass | 237.076786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Gk1C1dQHB1 |
|---|---|
| Name | L-Alanine, N-(2-chloroethoxycarbonyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.076785695 u |
| Formula | C9H16ClNO4 |
| InChI | InChI=1S/C9H16ClNO4/c1-3-5-14-8(12)7(2)11-9(13)15-6-4-10/h7H,3-6H2,1-2H3,(H,11,13) |
| InChIKey | ORENOYYIANKZPZ-UHFFFAOYSA-N |
| Molecular Weight | 237.683 g/mol |
| SMILES | C(OC(NC(C(OCCC)=O)C)=O)CCl |