| SpectraBase Compound ID | 5YTug44IbQC |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-3-7-5-6-10-8(7)9(11)12-4-2/h5-6,10H,3-4H2,1-2H3 |
| InChIKey | PCHHGQICKZNXND-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ay5j35kSlQI |
|---|---|
| Name | 1H-Pyrrole-2-carboxylic acid, 3-ethyl-, ethyl ester |
| 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/c1-3-7-5-6-10-8(7)9(11)12-4-2/h5-6,10H,3-4H2,1-2H3 |
| InChIKey | PCHHGQICKZNXND-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C(OCC)(=O)C1=C(CC)C=CN1 |