| SpectraBase Compound ID | 8SFNmVjTsfl |
|---|---|
| InChI | InChI=1S/C10H13N/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-6H2,2H3 |
| InChIKey | NSXIBBXQRKZDTK-UHFFFAOYSA-N |
| Mol Weight | 147.22 g/mol |
| Molecular Formula | C10H13N |
| Exact Mass | 147.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CDPZtiLWug0 |
|---|---|
| Name | 1-Cyclohexen, 1-cyano-4-isopropenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.104799423 u |
| Formula | C10H13N |
| InChI | InChI=1S/C10H13N/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-6H2,2H3 |
| InChIKey | NSXIBBXQRKZDTK-UHFFFAOYSA-N |
| Molecular Weight | 147.221 g/mol |
| SMILES | C1(CCC(=CC1)C#N)C(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926452 |