| SpectraBase Compound ID | FAC9Dc5KyLx |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-16-11-5-3-9(4-6-11)10-7-12(14-8-10)13(15)17-2/h3-8,14H,1-2H3 |
| InChIKey | HAZWXNOKESVQPE-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INKz4QVlAyY |
|---|---|
| Name | Methyl 4-(p-methoxyphenyl)-1H-pyrrole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.089543280 u |
| Formula | C13H13NO3 |
| InChI | InChI=1S/C13H13NO3/c1-16-11-5-3-9(4-6-11)10-7-12(14-8-10)13(15)17-2/h3-8,14H,1-2H3 |
| InChIKey | HAZWXNOKESVQPE-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C1(=CC(C=2C=CC(=CC2)OC)=CN1)C(=O)OC |