| SpectraBase Compound ID | 5IlcNvd5CRw |
|---|---|
| InChI | InChI=1S/C7H7NO/c1-5-6(4-8)2-3-7(5)9/h6H,1-3H2 |
| InChIKey | DPAMNLOHRQBZPH-UHFFFAOYSA-N |
| Mol Weight | 121.14 g/mol |
| Molecular Formula | C7H7NO |
| Exact Mass | 121.052764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | pLgHDQI0kw |
|---|---|
| Name | 2-Methylene-3-oxo-1-cyclopentanecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.052763848 u |
| Formula | C7H7NO |
| InChI | InChI=1S/C7H7NO/c1-5-6(4-8)2-3-7(5)9/h6H,1-3H2 |
| InChIKey | DPAMNLOHRQBZPH-UHFFFAOYSA-N |
| Molecular Weight | 121.139 g/mol |
| SMILES | C1(C(CCC1C#N)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843339 |