| SpectraBase Compound ID | Lxhcw4KgeUB |
|---|---|
| InChI | InChI=1S/C6H6N4O2/c7-2-1-3-9-5-6(4-8-9)10(11)12/h4-5H,1,3H2 |
| InChIKey | AVGYTRKUYWYTNV-UHFFFAOYSA-N |
| Mol Weight | 166.14 g/mol |
| Molecular Formula | C6H6N4O2 |
| Exact Mass | 166.049075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TJZYvJmlOA |
|---|---|
| Name | 3-(4-Nitropyrazol-1-yl)propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.049075447 u |
| Formula | C6H6N4O2 |
| InChI | InChI=1S/C6H6N4O2/c7-2-1-3-9-5-6(4-8-9)10(11)12/h4-5H,1,3H2 |
| InChIKey | AVGYTRKUYWYTNV-UHFFFAOYSA-N |
| SMILES | C1=NN(C=C1N(=O)=O)CCC#N |