| SpectraBase Compound ID | HLA76rQJfnl |
|---|---|
| InChI | InChI=1S/C21H21NO3/c1-5-25-21(24)19-18(15-8-6-7-9-16(15)22-19)20(23)17-13(3)10-12(2)11-14(17)4/h6-11,22H,5H2,1-4H3 |
| InChIKey | VYTOLMLMXKOXCX-UHFFFAOYSA-N |
| Mol Weight | 335.4 g/mol |
| Molecular Formula | C21H21NO3 |
| Exact Mass | 335.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Wbxe3jGnfq |
|---|---|
| Name | Ethyl 3-mesitoyl-1H-indole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.152143537 u |
| Formula | C21H21NO3 |
| InChI | InChI=1S/C21H21NO3/c1-5-25-21(24)19-18(15-8-6-7-9-16(15)22-19)20(23)17-13(3)10-12(2)11-14(17)4/h6-11,22H,5H2,1-4H3 |
| InChIKey | VYTOLMLMXKOXCX-UHFFFAOYSA-N |
| Molecular Weight | 335.403 g/mol |
| SMILES | C1(=C(NC2=C1C=CC=C2)C(=O)OCC)C(C1=C(C=C(C=C1C)C)C)=O |