| SpectraBase Compound ID | CcUffrMlxyi |
|---|---|
| InChI | InChI=1S/C8H13NO6/c1-2-3-15-8(14)9-5(7(12)13)4-6(10)11/h5H,2-4H2,1H3,(H,9,14)(H,10,11)(H,12,13) |
| InChIKey | MSKNWWYDBNBXGN-UHFFFAOYSA-N |
| Mol Weight | 219.19 g/mol |
| Molecular Formula | C8H13NO6 |
| Exact Mass | 219.074287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIewwdYaeG3 |
|---|---|
| Name | L-Aspartic acid, N-(N-propyloxycarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.074287137 u |
| Formula | C8H13NO6 |
| InChI | InChI=1S/C8H13NO6/c1-2-3-15-8(14)9-5(7(12)13)4-6(10)11/h5H,2-4H2,1H3,(H,9,14)(H,10,11)(H,12,13) |
| InChIKey | MSKNWWYDBNBXGN-UHFFFAOYSA-N |
| Molecular Weight | 219.193 g/mol |
| SMILES | C(C(C(O)=O)NC(OCCC)=O)C(O)=O |