| SpectraBase Compound ID | 5FTeJmgqlkT |
|---|---|
| InChI | InChI=1S/C13H13NO4/c1-3-18-13(16)12-10(7-15)9-6-8(17-2)4-5-11(9)14-12/h4-7,14H,3H2,1-2H3 |
| InChIKey | XQDZGHNVSBDTSP-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C13H13NO4 |
| Exact Mass | 247.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Zr15VLKrnu |
|---|---|
| Name | Ethyl 3-formyl-5-methoxy-1H-indole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.084457899 u |
| Formula | C13H13NO4 |
| InChI | InChI=1S/C13H13NO4/c1-3-18-13(16)12-10(7-15)9-6-8(17-2)4-5-11(9)14-12/h4-7,14H,3H2,1-2H3 |
| InChIKey | XQDZGHNVSBDTSP-UHFFFAOYSA-N |
| Molecular Weight | 247.250 g/mol |
| SMILES | C1=C(C=C2C(=C1)NC(=C2C=O)C(OCC)=O)OC |