| SpectraBase Compound ID | 1LZ94PwNJ9A |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-4-17-12(16)11-7(2)9(8(3)13-11)5-6-10(14)15/h13H,4-6H2,1-3H3,(H,14,15) |
| InChIKey | CUMYMXCUGHBKLV-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 | 6jD1IhwuJMG |
|---|---|
| Name | 3-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid |
| 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/c1-4-17-12(16)11-7(2)9(8(3)13-11)5-6-10(14)15/h13H,4-6H2,1-3H3,(H,14,15) |
| InChIKey | CUMYMXCUGHBKLV-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C=1(NC(=C(C1CCC(=O)O)C)C(=O)OCC)C |