| SpectraBase Compound ID | 2twqgUkcZld |
|---|---|
| InChI | InChI=1S/C16H12N2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-10,15-16H |
| InChIKey | KJPHABUGXMBVHI-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 | QLgNud67W9 |
|---|---|
| Name | 1,2-(1,1-Phenylnitrile)ethnae |
| 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/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-10,15-16H |
| InChIKey | KJPHABUGXMBVHI-UHFFFAOYSA-N |
| Molecular Weight | 232.286 g/mol |
| SMILES | C(C#N)(C(C#N)C1=CC=CC=C1)C1=CC=CC=C1 |