| SpectraBase Compound ID | BjYYYeDt9E2 |
|---|---|
| InChI | InChI=1S/C9H17NO4/c1-5(2)8(12)7(9(13)14-4)10-6(3)11/h5,7-8,12H,1-4H3,(H,10,11)/t7-,8+/m0/s1 |
| InChIKey | PWRLPCCEIDTPTQ-JGVFFNPUSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C9H17NO4 |
| Exact Mass | 203.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqKOhgCTOm2 |
|---|---|
| Name | (2S,3R)-N-Acetylhydroxyleucine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.115758027 u |
| Formula | C9H17NO4 |
| InChI | InChI=1S/C9H17NO4/c1-5(2)8(12)7(9(13)14-4)10-6(3)11/h5,7-8,12H,1-4H3,(H,10,11)/t7-,8+/m0/s1 |
| InChIKey | PWRLPCCEIDTPTQ-JGVFFNPUSA-N |
| Molecular Weight | 203.238 g/mol |
| SMILES | [C@@](C(=O)OC)(NC(=O)C)([C@@](C(C)C)(O)[H])[H] |