| SpectraBase Compound ID | 5kx7gVLvUBs |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-2-16-13(15)11-8-12(14-9-11)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3 |
| InChIKey | XGAUDZLAAYUFKN-UHFFFAOYSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 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 | HLei4Za1EG4 |
|---|---|
| Name | 5-Phenyl-1H-pyrrole-3-carboxylic acid ethyl ester |
| 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/c1-2-16-13(15)11-8-12(14-9-11)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3 |
| InChIKey | XGAUDZLAAYUFKN-UHFFFAOYSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | C=1NC(=CC1C(=O)OCC)C=1C=CC=CC1 |