| SpectraBase Compound ID | 2nf9KCK8jWY |
|---|---|
| InChI | InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H |
| InChIKey | WZWIQYMTQZCSKI-UHFFFAOYSA-N |
| Mol Weight | 131.13 g/mol |
| Molecular Formula | C8H5NO |
| Exact Mass | 131.037114 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KaK3kUqYPcz |
|---|---|
| Name | 4-formylbenzonitrile |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H5NO |
| InChI | InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H |
| InChIKey | WZWIQYMTQZCSKI-UHFFFAOYSA-N |
| Instrument Name | Thermo Scientific ISQ QD |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/anie.202102484 |
| SMILES | c1cc(ccc1C#N)C=O |
| SPLASH | splash10-0ugi-6900000000-fe3b3a81be5a0552b502 |
| Source of Spectrum | ACI-60-SM23-S25 |
| Wiley ID | 1882491 |