| SpectraBase Compound ID | AoITVVbhFVm |
|---|---|
| InChI | InChI=1S/C7H12ClNO4/c1-4(13-2)6(7(11)12)9-5(10)3-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | XCSSIGLYVOZJJK-UHFFFAOYSA-N |
| Mol Weight | 209.63 g/mol |
| Molecular Formula | C7H12ClNO4 |
| Exact Mass | 209.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJEl8zGpUnX |
|---|---|
| Name | N-Chloroacetyl-dl-erythro-o-methylthreonine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.045485566 u |
| Formula | C7H12ClNO4 |
| InChI | InChI=1S/C7H12ClNO4/c1-4(13-2)6(7(11)12)9-5(10)3-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | XCSSIGLYVOZJJK-UHFFFAOYSA-N |
| SMILES | CC(C(NC(CCl)=O)C(=O)O)OC |