| SpectraBase Compound ID | JsEsfbcGSsi |
|---|---|
| InChI | InChI=1S/C5H4N2O2/c6-3-7-4(8)1-2-5(7)9/h1-2H2 |
| InChIKey | CSROIMRWFUGMQC-UHFFFAOYSA-N |
| Mol Weight | 124.1 g/mol |
| Molecular Formula | C5H4N2O2 |
| Exact Mass | 124.027277 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DxgsnhZBtr4 |
|---|---|
| Name | 2,5-bis(Oxidanylidene)pyrrolidine-1-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.027277375 u |
| Formula | C5H4N2O2 |
| InChI | InChI=1S/C5H4N2O2/c6-3-7-4(8)1-2-5(7)9/h1-2H2 |
| InChIKey | CSROIMRWFUGMQC-UHFFFAOYSA-N |
| Molecular Weight | 124.099 g/mol |
| SMILES | C(N1C(CCC1=O)=O)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915613 |