| SpectraBase Compound ID | Bd9K561JDz1 |
|---|---|
| InChI | InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H |
| InChIKey | GZPHSAQLYPIAIN-UHFFFAOYSA-N |
| Mol Weight | 104.11 g/mol |
| Molecular Formula | C6H4N2 |
| Exact Mass | 104.037448 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JGtLfY4h3po |
|---|---|
| Name | 3-Pyridinecarbonitrile |
| CAS Registry Number | 100-54-9 |
| Classification | Chemical |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 104.037448137 u |
| Formula | C6H4N2 |
| InChI | InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H |
| InChIKey | GZPHSAQLYPIAIN-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 104.112 g/mol |
| Nominal Mass | 104 u |
| Quality | 999 |
| Retention Index | 872 |
| SMILES | C1(=CC=CN=C1)C#N |
| SPLASH | splash10-0ufr-9600000000-9c15fa33d4854f1daa9c |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | pyridine-3-carbonitrile |
| Technique | GC/MS |
| Wiley ID | DD2024_009658 |