| SpectraBase Compound ID | 7HBCQq35lmc |
|---|---|
| InChI | InChI=1S/C16H12N2/c17-11-10-14-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12/h1-9,18H,10H2 |
| InChIKey | CNAHOBNLHXZPRN-UHFFFAOYSA-N |
| Mol Weight | 232.29 g/mol |
| Molecular Formula | C16H12N2 |
| Exact Mass | 232.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 785LsmJXFia |
|---|---|
| Name | 2-Phenylindole-3-acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.100048394 u |
| Formula | C16H12N2 |
| InChI | InChI=1S/C16H12N2/c17-11-10-14-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12/h1-9,18H,10H2 |
| InChIKey | CNAHOBNLHXZPRN-UHFFFAOYSA-N |
| Molecular Weight | 232.286 g/mol |
| SMILES | C=12C=CC=CC1NC(=C2CC#N)C=1C=CC=CC1 |