| SpectraBase Compound ID | G7F0oCbUsfj |
|---|---|
| InChI | InChI=1S/C17H15NO/c1-11-6-5-7-13(10-11)17(19)16-12(2)18-15-9-4-3-8-14(15)16/h3-10,18H,1-2H3 |
| InChIKey | NLNNWSGQMRQASX-UHFFFAOYSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C17H15NO |
| Exact Mass | 249.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GQBYy5VA3l |
|---|---|
| Name | 2-Methyl-3-(m-toluoyl)indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.115364106 u |
| Formula | C17H15NO |
| InChI | InChI=1S/C17H15NO/c1-11-6-5-7-13(10-11)17(19)16-12(2)18-15-9-4-3-8-14(15)16/h3-10,18H,1-2H3 |
| InChIKey | NLNNWSGQMRQASX-UHFFFAOYSA-N |
| Molecular Weight | 249.313 g/mol |
| SMILES | C12=C(NC(=C2C(C2=CC=CC(=C2)C)=O)C)C=CC=C1 |