| SpectraBase Compound ID | 69WaeCZ2NAe |
|---|---|
| InChI | InChI=1S/C12H11NO3/c1-2-16-12(15)11-9(7-14)8-5-3-4-6-10(8)13-11/h3-7,13H,2H2,1H3 |
| InChIKey | UHTMDXSOGQARCU-UHFFFAOYSA-N |
| Mol Weight | 217.22 g/mol |
| Molecular Formula | C12H11NO3 |
| Exact Mass | 217.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZQT44rrDdB |
|---|---|
| Name | Ethyl 3-formyl-1H-indole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.073893215 u |
| Formula | C12H11NO3 |
| InChI | InChI=1S/C12H11NO3/c1-2-16-12(15)11-9(7-14)8-5-3-4-6-10(8)13-11/h3-7,13H,2H2,1H3 |
| InChIKey | UHTMDXSOGQARCU-UHFFFAOYSA-N |
| Molecular Weight | 217.224 g/mol |
| SMILES | C1=2NC(=C(C2C=CC=C1)C=O)C(=O)OCC |