| SpectraBase Compound ID | LJ2JXY1exlv |
|---|---|
| InChI | InChI=1S/C10H18ClNO4/c1-3-4-6-15-9(13)8(2)12-10(14)16-7-5-11/h8H,3-7H2,1-2H3,(H,12,14) |
| InChIKey | TYFRIOWVTUHRCW-UHFFFAOYSA-N |
| Mol Weight | 251.71 g/mol |
| Molecular Formula | C10H18ClNO4 |
| Exact Mass | 251.092436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYpxAiO6y4H |
|---|---|
| Name | L-Alanine, N-(2-chloroethoxycarbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.092435760 u |
| Formula | C10H18ClNO4 |
| InChI | InChI=1S/C10H18ClNO4/c1-3-4-6-15-9(13)8(2)12-10(14)16-7-5-11/h8H,3-7H2,1-2H3,(H,12,14) |
| InChIKey | TYFRIOWVTUHRCW-UHFFFAOYSA-N |
| Molecular Weight | 251.710 g/mol |
| SMILES | C(NC(OCCCl)=O)(C(OCCCC)=O)C |