| SpectraBase Compound ID | 3s6HkppKXK |
|---|---|
| InChI | InChI=1S/C6H8N2O/c1-6(2)4(3-7)8-5(6)9/h4H,1-2H3,(H,8,9) |
| InChIKey | PHIJVCOMUJHKFM-UHFFFAOYSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C6H8N2O |
| Exact Mass | 124.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5cNYANemh9C |
|---|---|
| Name | 3,3-Dimethyl-4-oxidanylidene-azetidine-2-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.063662885 u |
| Formula | C6H8N2O |
| InChI | InChI=1S/C6H8N2O/c1-6(2)4(3-7)8-5(6)9/h4H,1-2H3,(H,8,9) |
| InChIKey | PHIJVCOMUJHKFM-UHFFFAOYSA-N |
| Molecular Weight | 124.143 g/mol |
| SMILES | C1(C(C)(C)C(N1)C#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807345 |