| SpectraBase Compound ID | 6KfHX2fvPHj |
|---|---|
| InChI | InChI=1S/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17) |
| InChIKey | DJLTZJGULPLVOA-UHFFFAOYSA-N |
| Mol Weight | 237.21 g/mol |
| Molecular Formula | C11H11NO5 |
| Exact Mass | 237.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESpXXGJSDZT |
|---|---|
| Name | dl-N-Benzoylaspartic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.063722453 u |
| Formula | C11H11NO5 |
| InChI | InChI=1S/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17) |
| InChIKey | DJLTZJGULPLVOA-UHFFFAOYSA-N |
| Molecular Weight | 237.211 g/mol |
| SMILES | N(C(C1=CC=CC=C1)=O)C(CC(O)=O)C(O)=O |