| SpectraBase Compound ID | 8UXSzTmIqK2 |
|---|---|
| InChI | InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2 |
| InChIKey | PXNJGLAVKOXITN-UHFFFAOYSA-N |
| Mol Weight | 162.15 g/mol |
| Molecular Formula | C8H6N2O2 |
| Exact Mass | 162.042927 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5vFGnind5wh |
|---|---|
| Name | 2-(4-nitrophenyl)acetonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6N2O2 |
| InChI | InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2 |
| InChIKey | PXNJGLAVKOXITN-UHFFFAOYSA-N |
| Molecular Weight | 162.148 g/mol |
| SMILES | c1cc(ccc1CC#N)[N+](=O)[O-] |
| SPLASH | splash10-02ti-9700000000-724aee3eb120c0aaa75d |
| Source of Spectrum | CCC-10-SM13-S13_2 |
| Wiley ID | 1812785 |