| SpectraBase Compound ID | 6I9pcjaiZ9j |
|---|---|
| InChI | InChI=1S/C16H11ClN2/c1-10-2-7-15-13(8-10)14(9-18)16(19-15)11-3-5-12(17)6-4-11/h2-8,19H,1H3 |
| InChIKey | MUBTWIQEORTFDW-UHFFFAOYSA-N |
| Mol Weight | 266.73 g/mol |
| Molecular Formula | C16H11ClN2 |
| Exact Mass | 266.061076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOd4KoNBDZP |
|---|---|
| Name | 2-(4-Chlorophenyl)-5-methyl-1H-indole-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.061076062 u |
| Formula | C16H11ClN2 |
| InChI | InChI=1S/C16H11ClN2/c1-10-2-7-15-13(8-10)14(9-18)16(19-15)11-3-5-12(17)6-4-11/h2-8,19H,1H3 |
| InChIKey | MUBTWIQEORTFDW-UHFFFAOYSA-N |
| Molecular Weight | 266.731 g/mol |
| SMILES | C=1(NC2=C(C1C#N)C=C(C=C2)C)C1=CC=C(C=C1)Cl |