| SpectraBase Compound ID | KQP6rGMYJRc |
|---|---|
| InChI | InChI=1S/C8H11NO/c9-5-1-2-7-3-4-8(10)6-7/h7H,1-4,6H2 |
| InChIKey | VXTUUVJXADCSFU-UHFFFAOYSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DfRUuvbndtv |
|---|---|
| Name | 3-(3-Oxocyclopentyl)propanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.084063977 u |
| Formula | C8H11NO |
| InChI | InChI=1S/C8H11NO/c9-5-1-2-7-3-4-8(10)6-7/h7H,1-4,6H2 |
| InChIKey | VXTUUVJXADCSFU-UHFFFAOYSA-N |
| SMILES | C(CCC1CC(CC1)=O)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987917 |