| SpectraBase Compound ID | FyQEmbt99Ea |
|---|---|
| InChI | InChI=1S/C17H14N2O/c1-19-16-6-4-3-5-14(16)15(11-18)17(19)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3 |
| InChIKey | UCPOLYFWTSNBNK-UHFFFAOYSA-N |
| Mol Weight | 262.31 g/mol |
| Molecular Formula | C17H14N2O |
| Exact Mass | 262.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYwem6bdwJv |
|---|---|
| Name | 2-(4-Methoxyphenyl)-1-methyl-1H-indole-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.110613078 u |
| Formula | C17H14N2O |
| InChI | InChI=1S/C17H14N2O/c1-19-16-6-4-3-5-14(16)15(11-18)17(19)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3 |
| InChIKey | UCPOLYFWTSNBNK-UHFFFAOYSA-N |
| Molecular Weight | 262.312 g/mol |
| SMILES | C=1C=C2C(=CC1)N(C)C(C1=CC=C(C=C1)OC)=C2C#N |