| SpectraBase Compound ID | GYKVcC5237G |
|---|---|
| InChI | InChI=1S/C14H13NO3/c1-2-18-14(17)11-7-5-10(6-8-11)13(16)12-4-3-9-15-12/h3-9,15H,2H2,1H3 |
| InChIKey | QLFYGIGVEFQJAE-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 | ISVkbW2zNWj |
|---|---|
| Name | Ethyl 4-(1H-pyrrole-2-carbonyl)benzoate |
| 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/c1-2-18-14(17)11-7-5-10(6-8-11)13(16)12-4-3-9-15-12/h3-9,15H,2H2,1H3 |
| InChIKey | QLFYGIGVEFQJAE-UHFFFAOYSA-N |
| Molecular Weight | 243.262 g/mol |
| SMILES | C=1(C(C2=CC=C(C(=O)OCC)C=C2)=O)NC=CC1 |