| SpectraBase Compound ID | J1mZ4v2zhMf |
|---|---|
| InChI | InChI=1S/C16H13NO/c1-11-6-5-9-13-14(10-17-15(11)13)16(18)12-7-3-2-4-8-12/h2-10,17H,1H3 |
| InChIKey | NRVYGMSQGSMBRY-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 | 3qSfFEIovxG |
|---|---|
| Name | 3-Benzoyl-7-methylindole |
| 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/c1-11-6-5-9-13-14(10-17-15(11)13)16(18)12-7-3-2-4-8-12/h2-10,17H,1H3 |
| InChIKey | NRVYGMSQGSMBRY-UHFFFAOYSA-N |
| Molecular Weight | 235.286 g/mol |
| SMILES | C1=2C(C(C(C=3C=CC=CC3)=O)=CN1)=CC=CC2C |