![5-[(4,6-Dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid](/api/spectrum/4PtFooRLnni/structure.png?h=300&w=458 "5-[(4,6-Dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid")
| SpectraBase Compound ID | HmPOVJmkYGF |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-8-6-9(2)13-10(7-8)14-11(15)4-3-5-12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,13,14,15) |
| InChIKey | IIRKQCNRPPCLSG-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4PtFooRLnni |
|---|---|
| Name | 5-[(4,6-Dimethyl-2-pyridinyl)amino]-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-8-6-9(2)13-10(7-8)14-11(15)4-3-5-12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,13,14,15) |
| InChIKey | IIRKQCNRPPCLSG-UHFFFAOYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | N(C1=NC(C)=CC(=C1)C)C(CCCC(=O)O)=O |