| SpectraBase Compound ID | D3rn7wAY7kT |
|---|---|
| InChI | InChI=1S/2C6H10N2O/c2*1-6(2,8-9)4-3-5-7/h2*3-4H2,1-2H3 |
| InChIKey | YNYGEXYFJZEAFU-UHFFFAOYSA-N |
| Mol Weight | 252.32 g/mol |
| Molecular Formula | C12H20N4O2 |
| Exact Mass | 252.158626 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kzon3s1HXiZ |
|---|---|
| Name | 4-Methyl-4-nitrosopentanenitrile dimer |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.158625898 u |
| Formula | C12H20N4O2 |
| InChI | InChI=1S/2C6H10N2O/c2*1-6(2,8-9)4-3-5-7/h2*3-4H2,1-2H3 |
| InChIKey | YNYGEXYFJZEAFU-UHFFFAOYSA-N |
| Molecular Weight | 252.318 g/mol |
| SMILES | C(#N)CCC(N=O)(C)C.C(#N)CCC(N=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873674 |