| SpectraBase Compound ID | AwNEOEj7QMZ |
|---|---|
| InChI | InChI=1S/C16H14N2O4/c1-10-7-8-13(12(9-10)15(20)21)17-16(22)18-14(19)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)(H2,17,18,19,22) |
| InChIKey | GUQMQKGAJSTEJK-UHFFFAOYSA-N |
| Mol Weight | 298.3 g/mol |
| Molecular Formula | C16H14N2O4 |
| Exact Mass | 298.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2rafGN9RCt |
|---|---|
| Name | 2-(Benzoylcarbamoylamino)-5-methyl-benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.095356935 u |
| Formula | C16H14N2O4 |
| InChI | InChI=1S/C16H14N2O4/c1-10-7-8-13(12(9-10)15(20)21)17-16(22)18-14(19)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)(H2,17,18,19,22) |
| InChIKey | GUQMQKGAJSTEJK-UHFFFAOYSA-N |
| Molecular Weight | 298.298 g/mol |
| SMILES | C=1(C(NC(NC(=O)C2=CC=CC=C2)=O)=CC=C(C1)C)C(=O)O |