| SpectraBase Compound ID | 7oXiHZnqZHN |
|---|---|
| InChI | InChI=1S/C14H14BrNO4/c1-4-19-14(18)13-7(2)16-11-6-10(15)12(5-9(11)13)20-8(3)17/h5-6,16H,4H2,1-3H3 |
| InChIKey | IAELCVQXPVEULE-UHFFFAOYSA-N |
| Mol Weight | 340.17 g/mol |
| Molecular Formula | C14H14BrNO4 |
| Exact Mass | 339.010621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fN8ErX45RV |
|---|---|
| Name | Ethyl 5-(acetyloxy)-6-bromo-2-methyl-1H-indole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.010620931 u |
| Formula | C14H14BrNO4 |
| InChI | InChI=1S/C14H14BrNO4/c1-4-19-14(18)13-7(2)16-11-6-10(15)12(5-9(11)13)20-8(3)17/h5-6,16H,4H2,1-3H3 |
| InChIKey | IAELCVQXPVEULE-UHFFFAOYSA-N |
| Molecular Weight | 340.173 g/mol |
| SMILES | N1C2=C(C(=C1C)C(=O)OCC)C=C(C(=C2)Br)OC(=O)C |