| SpectraBase Compound ID | 53ZKRXcsHeA |
|---|---|
| InChI | InChI=1S/C16H11N3/c17-10-13(12-6-2-1-3-7-12)16-11-18-14-8-4-5-9-15(14)19-16/h1-9,11,13H |
| InChIKey | MWXPSLCBJUQVSS-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C16H11N3 |
| Exact Mass | 245.095297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BTGu2T9ER3 |
|---|---|
| Name | Phenyl(2-quinoxalinyl)ethanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.095297366 u |
| Formula | C16H11N3 |
| InChI | InChI=1S/C16H11N3/c17-10-13(12-6-2-1-3-7-12)16-11-18-14-8-4-5-9-15(14)19-16/h1-9,11,13H |
| InChIKey | MWXPSLCBJUQVSS-UHFFFAOYSA-N |
| Molecular Weight | 245.285 g/mol |
| SMILES | C1(C(C2=NC3=C(N=C2)C=CC=C3)C#N)=CC=CC=C1 |