| SpectraBase Compound ID | GRpazPZihi0 |
|---|---|
| InChI | InChI=1S/C17H14N2/c18-11-6-12-19-13-16(14-7-2-1-3-8-14)15-9-4-5-10-17(15)19/h1-5,7-10,13H,6,12H2 |
| InChIKey | IYDAOALWDSYCOA-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C17H14N2 |
| Exact Mass | 246.115698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZfwqTcA1ne |
|---|---|
| Name | 3-(3-Phenyl-1-indolyl)propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.115698459 u |
| Formula | C17H14N2 |
| InChI | InChI=1S/C17H14N2/c18-11-6-12-19-13-16(14-7-2-1-3-8-14)15-9-4-5-10-17(15)19/h1-5,7-10,13H,6,12H2 |
| InChIKey | IYDAOALWDSYCOA-UHFFFAOYSA-N |
| Molecular Weight | 246.313 g/mol |
| SMILES | C1(=CN(CCC#N)C2=C1C=CC=C2)C=1C=CC=CC1 |