| SpectraBase Compound ID | 5JofdeZUnWf |
|---|---|
| InChI | InChI=1S/C8H13NO6/c1-3-15-8(13)9-5(4-6(10)11)7(12)14-2/h5H,3-4H2,1-2H3,(H,9,13)(H,10,11) |
| InChIKey | IZCVACAJLISZSB-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 | GtVk1GMrv9q |
|---|---|
| Name | L-Aspartic acid, N-ethoxycarbonyl-, C(1)-methyl ester |
| 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/c1-3-15-8(13)9-5(4-6(10)11)7(12)14-2/h5H,3-4H2,1-2H3,(H,9,13)(H,10,11) |
| InChIKey | IZCVACAJLISZSB-UHFFFAOYSA-N |
| Molecular Weight | 219.193 g/mol |
| SMILES | C(CC(C(=O)OC)NC(OCC)=O)(=O)O |