| SpectraBase Compound ID | 6v22naeqdw7 |
|---|---|
| InChI | InChI=1S/C6H6N2O2/c1-2-10-6(9)5(3-7)4-8/h5H,2H2,1H3 |
| InChIKey | RZENCBUPDBAVRW-UHFFFAOYSA-N |
| Mol Weight | 138.13 g/mol |
| Molecular Formula | C6H6N2O2 |
| Exact Mass | 138.042927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Btkcik6OBZo |
|---|---|
| Name | Ethyl 2,2-dicyanoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.042927439 u |
| Formula | C6H6N2O2 |
| InChI | InChI=1S/C6H6N2O2/c1-2-10-6(9)5(3-7)4-8/h5H,2H2,1H3 |
| InChIKey | RZENCBUPDBAVRW-UHFFFAOYSA-N |
| Molecular Weight | 138.126 g/mol |
| SMILES | C(OCC)(C(C#N)C#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826332 |