| SpectraBase Compound ID | 8TXWjj311qE |
|---|---|
| InChI | InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-3-8(14)5-9(10)15/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19) |
| InChIKey | FKFPKQTWJFTWBS-UHFFFAOYSA-N |
| Mol Weight | 304.17 g/mol |
| Molecular Formula | C13H15Cl2NO3 |
| Exact Mass | 303.042899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEuZ0oNRDZw |
|---|---|
| Name | 5-(2,4-Dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.042898744 u |
| Formula | C13H15Cl2NO3 |
| InChI | InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-3-8(14)5-9(10)15/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19) |
| InChIKey | FKFPKQTWJFTWBS-UHFFFAOYSA-N |
| SMILES | N(C(CC(CC(=O)O)(C)C)=O)C1=C(C=C(C=C1)Cl)Cl |