| SpectraBase Compound ID | FLfwvYYPQir |
|---|---|
| InChI | InChI=1S/C16H13NO/c1-11-6-2-4-8-13(11)16(18)15-10-12-7-3-5-9-14(12)17-15/h2-10,17H,1H3 |
| InChIKey | WIUFCDBYZXHKSE-UHFFFAOYSA-N |
| Mol Weight | 235.29 g/mol |
| Molecular Formula | C16H13NO |
| Exact Mass | 235.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdezCzqM6Fr |
|---|---|
| Name | Indole, 2-(2-toluoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.099714042 u |
| Formula | C16H13NO |
| InChI | InChI=1S/C16H13NO/c1-11-6-2-4-8-13(11)16(18)15-10-12-7-3-5-9-14(12)17-15/h2-10,17H,1H3 |
| InChIKey | WIUFCDBYZXHKSE-UHFFFAOYSA-N |
| Molecular Weight | 235.286 g/mol |
| SMILES | C1=CC=CC2=C1C=C(N2)C(=O)C1=CC=CC=C1C |