| SpectraBase Compound ID | 5S5RiniDvne |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-8(14)7-11(15)13-10-6-4-3-5-9(10)12(16)17-2/h3-6H,7H2,1-2H3,(H,13,15) |
| InChIKey | ZMRPSFSQZDTZLX-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdseSWmoUaJ |
|---|---|
| Name | N-Acetoacetylanthranilic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.084457899 u |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-8(14)7-11(15)13-10-6-4-3-5-9(10)12(16)17-2/h3-6H,7H2,1-2H3,(H,13,15) |
| InChIKey | ZMRPSFSQZDTZLX-UHFFFAOYSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | N(C1=CC=CC=C1C(OC)=O)C(CC(C)=O)=O |