![Aspartic acid, o(1)-[4-nitrobenzyl]-, ester](/api/spectrum/I7t7lNv9PD3/structure.png?h=300&w=458 "Aspartic acid, o(1)-[4-nitrobenzyl]-, ester")
| SpectraBase Compound ID | JQ196YmoPzE |
|---|---|
| InChI | InChI=1S/C11H12N2O6/c12-9(5-10(14)15)11(16)19-6-7-1-3-8(4-2-7)13(17)18/h1-4,9H,5-6,12H2,(H,14,15)/t9-/m0/s1 |
| InChIKey | FVGBFVAXRWTRQB-VIFPVBQESA-N |
| Mol Weight | 268.22 g/mol |
| Molecular Formula | C11H12N2O6 |
| Exact Mass | 268.069536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7t7lNv9PD3 |
|---|---|
| Name | Aspartic acid, o(1)-[4-nitrobenzyl]-, ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.069536108 u |
| Formula | C11H12N2O6 |
| InChI | InChI=1S/C11H12N2O6/c12-9(5-10(14)15)11(16)19-6-7-1-3-8(4-2-7)13(17)18/h1-4,9H,5-6,12H2,(H,14,15)/t9-/m0/s1 |
| InChIKey | FVGBFVAXRWTRQB-VIFPVBQESA-N |
| Molecular Weight | 268.225 g/mol |
| SMILES | C(O)(C[C@@](C(OCC=1C=CC(=CC1)N(=O)=O)=O)(N)[H])=O |