| SpectraBase Compound ID | Jv9Vq7VHFo6 |
|---|---|
| InChI | InChI=1S/C13H13NO2/c15-13(16)9-7-11-6-8-12(14-11)10-4-2-1-3-5-10/h1-6,8,14H,7,9H2,(H,15,16) |
| InChIKey | RSKVDNXGAFVGIU-UHFFFAOYSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2lCiXUxGIfK |
|---|---|
| Name | Propionic acid, 3-(5-phenyl-1H-pyrrol-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c15-13(16)9-7-11-6-8-12(14-11)10-4-2-1-3-5-10/h1-6,8,14H,7,9H2,(H,15,16) |
| InChIKey | RSKVDNXGAFVGIU-UHFFFAOYSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | C1=CC=C(C=2NC(CCC(=O)O)=CC2)C=C1 |