| SpectraBase Compound ID | Hg1vRdlfmBw |
|---|---|
| InChI | InChI=1S/C11H10ClNO5/c12-7-4-2-1-3-6(7)10(16)13-8(11(17)18)5-9(14)15/h1-4,8H,5H2,(H,13,16)(H,14,15)(H,17,18) |
| InChIKey | XACQTIJCZFHZHQ-UHFFFAOYSA-N |
| Mol Weight | 271.66 g/mol |
| Molecular Formula | C11H10ClNO5 |
| Exact Mass | 271.02475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VG541HlDsY |
|---|---|
| Name | N-(o-Chlorobenzoyl)-dl-aspartic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.024750121 u |
| Formula | C11H10ClNO5 |
| InChI | InChI=1S/C11H10ClNO5/c12-7-4-2-1-3-6(7)10(16)13-8(11(17)18)5-9(14)15/h1-4,8H,5H2,(H,13,16)(H,14,15)(H,17,18) |
| InChIKey | XACQTIJCZFHZHQ-UHFFFAOYSA-N |
| SMILES | C(=O)(CC(NC(=O)C1=CC=CC=C1Cl)C(O)=O)O |