| SpectraBase Compound ID | 3hnE0bLmYWV |
|---|---|
| InChI | InChI=1S/C11H10N2O7/c14-9(15)5-8(11(17)18)12-10(16)6-1-3-7(4-2-6)13(19)20/h1-4,8H,5H2,(H,12,16)(H,14,15)(H,17,18) |
| InChIKey | PCEHLNJRRZDEKI-UHFFFAOYSA-N |
| Mol Weight | 282.21 g/mol |
| Molecular Formula | C11H10N2O7 |
| Exact Mass | 282.048801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8BmcZB7f6k |
|---|---|
| Name | p-Nitrobenzoyl-dl-aspartic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.048800663 u |
| Formula | C11H10N2O7 |
| InChI | InChI=1S/C11H10N2O7/c14-9(15)5-8(11(17)18)12-10(16)6-1-3-7(4-2-6)13(19)20/h1-4,8H,5H2,(H,12,16)(H,14,15)(H,17,18) |
| InChIKey | PCEHLNJRRZDEKI-UHFFFAOYSA-N |
| SMILES | C(NC(CC(=O)O)C(O)=O)(=O)C1=CC=C(N(=O)=O)C=C1 |