| SpectraBase Compound ID | 24IfsyxHTkc |
|---|---|
| InChI | InChI=1S/C8H13NO5/c1-3-14-8(12)9-6(4-5-10)7(11)13-2/h5-6H,3-4H2,1-2H3,(H,9,12)/t6-/m0/s1 |
| InChIKey | XDJCKPAVVQSDRV-LURJTMIESA-N |
| Mol Weight | 203.19 g/mol |
| Molecular Formula | C8H13NO5 |
| Exact Mass | 203.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89fbT2CBkXO |
|---|---|
| Name | N-(Ethoxycarbonyl)-L-asparic acid .alpha.-methyl ester .beta.-semialdehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.079372518 u |
| Formula | C8H13NO5 |
| InChI | InChI=1S/C8H13NO5/c1-3-14-8(12)9-6(4-5-10)7(11)13-2/h5-6H,3-4H2,1-2H3,(H,9,12)/t6-/m0/s1 |
| InChIKey | XDJCKPAVVQSDRV-LURJTMIESA-N |
| Molecular Weight | 203.194 g/mol |
| SMILES | C(N[C@](C(=O)OC)(CC=O)[H])(=O)OCC |