| SpectraBase Compound ID | 2uiNdE2M4kH |
|---|---|
| InChI | InChI=1S/C11H15NO4/c1-2-16-11(15)9-6-8(7-12-9)4-3-5-10(13)14/h6-7,12H,2-5H2,1H3,(H,13,14) |
| InChIKey | ZLUXTLMRWGOZNG-UHFFFAOYSA-N |
| Mol Weight | 225.24 g/mol |
| Molecular Formula | C11H15NO4 |
| Exact Mass | 225.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | u9zmGbt0te |
|---|---|
| Name | 4-(2-Ethoxycarbonylpyrrol-4-yl)butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.100107963 u |
| Formula | C11H15NO4 |
| InChI | InChI=1S/C11H15NO4/c1-2-16-11(15)9-6-8(7-12-9)4-3-5-10(13)14/h6-7,12H,2-5H2,1H3,(H,13,14) |
| InChIKey | ZLUXTLMRWGOZNG-UHFFFAOYSA-N |
| Molecular Weight | 225.244 g/mol |
| SMILES | C(CCCC=1C=C(NC1)C(=O)OCC)(=O)O |