| SpectraBase Compound ID | B8bVnFLrWoC |
|---|---|
| InChI | InChI=1S/C12H13NO5/c1-17-11(15)9(12(16)18-2)13-10(14)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,13,14) |
| InChIKey | VWUHJJGWTWNYGP-UHFFFAOYSA-N |
| Mol Weight | 251.24 g/mol |
| Molecular Formula | C12H13NO5 |
| Exact Mass | 251.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dqj9MZ44rvW |
|---|---|
| Name | 2-Benzoylaminomalonic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.079372518 u |
| Formula | C12H13NO5 |
| InChI | InChI=1S/C12H13NO5/c1-17-11(15)9(12(16)18-2)13-10(14)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,13,14) |
| InChIKey | VWUHJJGWTWNYGP-UHFFFAOYSA-N |
| Molecular Weight | 251.238 g/mol |
| SMILES | C1=CC(C(NC(C(=O)OC)C(=O)OC)=O)=CC=C1 |