| SpectraBase Compound ID | EYj6kgqSRbe |
|---|---|
| InChI | InChI=1S/C12H9N3/c1-9-3-4-10(8-13)11(7-9)12-14-5-2-6-15-12/h2-7H,1H3 |
| InChIKey | NKDQBMORUMAZHB-UHFFFAOYSA-N |
| Mol Weight | 195.22 g/mol |
| Molecular Formula | C12H9N3 |
| Exact Mass | 195.079647 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LS0DdQmnFGN |
|---|---|
| Name | 4-Methyl-2-(pyrimidin-2-yl)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H9N3 |
| InChI | InChI=1S/C12H9N3/c1-9-3-4-10(8-13)11(7-9)12-14-5-2-6-15-12/h2-7H,1H3 |
| InChIKey | NKDQBMORUMAZHB-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/jo500087g |
| Molecular Weight | 195.225 g/mol |
| SMILES | c1cnc(-c2cc(ccc2C#N)C)nc1 |
| SPLASH | splash10-0002-0900000000-e986ef676219d192d718 |
| Source of Spectrum | J-79-3234-2j |
| Wiley ID | 1746135 |