| SpectraBase Compound ID | CBwIR11zoZS |
|---|---|
| InChI | InChI=1S/C17H14N2/c18-11-10-15-13-19(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13H,10,12H2 |
| InChIKey | NHFXOKWGVHCGHM-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C17H14N2 |
| Exact Mass | 246.115698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8eJ1sCw8fmY |
|---|---|
| Name | (1-Benzyl-1H-indol-3-yl)acetonitrile |
| 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/c18-11-10-15-13-19(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13H,10,12H2 |
| InChIKey | NHFXOKWGVHCGHM-UHFFFAOYSA-N |
| Molecular Weight | 246.313 g/mol |
| SMILES | C=1N(C2=C(C1CC#N)C=CC=C2)CC=1C=CC=CC1 |