| SpectraBase Compound ID | JDAQIOUWAPO |
|---|---|
| InChI | InChI=1S/C9H6N4/c10-7-8-3-1-6-13(8)9-11-4-2-5-12-9/h1-6H |
| InChIKey | XSRLRZJBADLEAS-UHFFFAOYSA-N |
| Mol Weight | 170.17 g/mol |
| Molecular Formula | C9H6N4 |
| Exact Mass | 170.059246 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4wQpsR1tqSd |
|---|---|
| Name | 1-(Pyrimidin-2-yl)-1H-pyrrole-2-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6N4 |
| InChI | InChI=1S/C9H6N4/c10-7-8-3-1-6-13(8)9-11-4-2-5-12-9/h1-6H |
| InChIKey | XSRLRZJBADLEAS-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201409247 |
| Molecular Weight | 170.175 g/mol |
| SMILES | c1ccnc(n1)-[n]1c(ccc1)C#N |
| SPLASH | splash10-00di-4900000000-0fa7b38bd250a185581a |
| Source of Spectrum | ACI-54-3635/SMS16-7 |
| Wiley ID | 1760388 |