| SpectraBase Compound ID | 12ndQWYlRVE |
|---|---|
| InChI | InChI=1S/C16H13NO/c1-17-14-10-6-5-9-13(14)16(15(17)11-18)12-7-3-2-4-8-12/h2-11H,1H3 |
| InChIKey | XONKOYHSWDMBND-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 | LAb2rZAhrHK |
|---|---|
| Name | 1-Methyl-3-phenyl-1H-indole-2-carbaldehyde |
| 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/c1-17-14-10-6-5-9-13(14)16(15(17)11-18)12-7-3-2-4-8-12/h2-11H,1H3 |
| InChIKey | XONKOYHSWDMBND-UHFFFAOYSA-N |
| Molecular Weight | 235.286 g/mol |
| SMILES | CN1C(C=O)=C(C2=CC=CC=C2)C=2C=CC=CC12 |