| SpectraBase Compound ID | rwP4nsaacs |
|---|---|
| InChI | InChI=1S/C8H11NO2/c1-2-6-11-8(10)7-4-3-5-9-7/h3-5,9H,2,6H2,1H3 |
| InChIKey | UDGJAVHADMBUGS-UHFFFAOYSA-N |
| Mol Weight | 153.18 g/mol |
| Molecular Formula | C8H11NO2 |
| Exact Mass | 153.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yWZ1kirJPI |
|---|---|
| Name | 1H-Pyrrole-2-carboxylic acid propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.078978596 u |
| Formula | C8H11NO2 |
| InChI | InChI=1S/C8H11NO2/c1-2-6-11-8(10)7-4-3-5-9-7/h3-5,9H,2,6H2,1H3 |
| InChIKey | UDGJAVHADMBUGS-UHFFFAOYSA-N |
| Molecular Weight | 153.181 g/mol |
| SMILES | C=1(C(=O)OCCC)NC=CC1 |