| SpectraBase Compound ID | 2h8lEpCSUXe |
|---|---|
| InChI | InChI=1S/C9H11NO3/c1-2-13-9(12)6-10-5-3-4-8(10)7-11/h3-5,7H,2,6H2,1H3 |
| InChIKey | NFEOCQHLJMZYOF-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rMnTIU4lqo |
|---|---|
| Name | 2-(2-Formyl-1-pyrrolyl)acetic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.073893215 u |
| Formula | C9H11NO3 |
| InChI | InChI=1S/C9H11NO3/c1-2-13-9(12)6-10-5-3-4-8(10)7-11/h3-5,7H,2,6H2,1H3 |
| InChIKey | NFEOCQHLJMZYOF-UHFFFAOYSA-N |
| Molecular Weight | 181.191 g/mol |
| SMILES | C=1(N(C=CC1)CC(=O)OCC)C=O |