| 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 | 89D3xYwNDeJ |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. 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 | 162.0428 |
| SMILES | c1(N(=O)=O)ccc(CC#N)cc1 |
| SPLASH | splash10-029i-9600000000-be8200c886f4b711416b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |