| SpectraBase Compound ID | 2SRI9edcdWh |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-7(2)6-12-9(11)8-4-3-5-10-8/h3-5,7,10H,6H2,1-2H3 |
| InChIKey | UDCZOAOFHCQTNS-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D6ERPZpTPm |
|---|---|
| Name | Isobutyl-1H-pyrrole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-7(2)6-12-9(11)8-4-3-5-10-8/h3-5,7,10H,6H2,1-2H3 |
| InChIKey | UDCZOAOFHCQTNS-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C(OCC(C)C)(C1=CC=CN1)=O |