| SpectraBase Compound ID | 4zy4wc8vJd |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-8-9(2)12(17)13(11(8)16)7-5-3-4-6-10(14)15/h3-7H2,1-2H3,(H,14,15) |
| InChIKey | LQRDWDFBWXZAOS-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C12H17NO4 |
| Exact Mass | 239.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ANjvg1H8pU3 |
|---|---|
| Name | Hexanoic acid, 6-(3,4-dimethyl-2,5-dioxo-3-pyrrolin-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.115758027 u |
| Formula | C12H17NO4 |
| InChI | InChI=1S/C12H17NO4/c1-8-9(2)12(17)13(11(8)16)7-5-3-4-6-10(14)15/h3-7H2,1-2H3,(H,14,15) |
| InChIKey | LQRDWDFBWXZAOS-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C(CCC(=O)O)CCN1C(C(C)=C(C1=O)C)=O |