| SpectraBase Compound ID | DXJpGcTx5bq |
|---|---|
| InChI | InChI=1S/C14H13NO3/c1-9-11(8-15-12(9)14(17)18-2)13(16)10-6-4-3-5-7-10/h3-8,15H,1-2H3 |
| InChIKey | ZVVPHVBQNDLGAS-UHFFFAOYSA-N |
| Mol Weight | 243.26 g/mol |
| Molecular Formula | C14H13NO3 |
| Exact Mass | 243.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bjc6Zg7UNbB |
|---|---|
| Name | 4-Benzoyl-3-methyl-1H-pyrrole-2-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.089543280 u |
| Formula | C14H13NO3 |
| InChI | InChI=1S/C14H13NO3/c1-9-11(8-15-12(9)14(17)18-2)13(16)10-6-4-3-5-7-10/h3-8,15H,1-2H3 |
| InChIKey | ZVVPHVBQNDLGAS-UHFFFAOYSA-N |
| Molecular Weight | 243.262 g/mol |
| SMILES | C=1(C(=C(C(=O)OC)NC1)C)C(=O)C1=CC=CC=C1 |