| SpectraBase Compound ID | 5GhMOTIGYJj |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-9-12(13(15)16-2)11(8-14-9)10-6-4-3-5-7-10/h3-8,14H,1-2H3 |
| InChIKey | OCIWPTHNKMNUIK-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 | EppURiiY9og |
|---|---|
| Name | 1H-Pyrrole-3-carboxylic acid, 2-methyl-4-phenyl-, methyl- 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/c1-9-12(13(15)16-2)11(8-14-9)10-6-4-3-5-7-10/h3-8,14H,1-2H3 |
| InChIKey | OCIWPTHNKMNUIK-UHFFFAOYSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | N1C(=C(C(=C1)C=1C=CC=CC1)C(OC)=O)C |