| SpectraBase Compound ID | Dp07a3Q6Djw |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-9-5-3-6-10(2)13(9)14-11(15)7-4-8-12(16)17/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | KKGRORPLWTWVBN-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESiPIt7I5Zr |
|---|---|
| Name | 5-(2,6-Dimethylanilino)-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-9-5-3-6-10(2)13(9)14-11(15)7-4-8-12(16)17/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | KKGRORPLWTWVBN-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | N(C=1C(=CC=CC1C)C)C(CCCC(=O)O)=O |