| SpectraBase Compound ID | 2nPyWmaNzTa |
|---|---|
| InChI | InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h5H,1-4H2 |
| InChIKey | DNAYRSBMBDMJNU-UHFFFAOYSA-N |
| Mol Weight | 107.16 g/mol |
| Molecular Formula | C7H9N |
| Exact Mass | 107.073499 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KTPioMTekzr |
|---|---|
| Name | 2-Cyclopentylideneacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 107.073499294 u |
| Formula | C7H9N |
| InChI | InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h5H,1-4H2 |
| InChIKey | DNAYRSBMBDMJNU-UHFFFAOYSA-N |
| Molecular Weight | 107.156 g/mol |
| SMILES | C(#N)C=C1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823077 |