| SpectraBase Compound ID | GrkBPzKiRcP |
|---|---|
| InChI | InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6H,3,5,7H2,1H3/b8-2+ |
| InChIKey | HCKKIWXIMBMLCD-KRXBUXKQSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2oZ9aYFdSDu |
|---|---|
| Name | Cyclohexene, 3-ethylidene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.093900386 u |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6H,3,5,7H2,1H3/b8-2+ |
| InChIKey | HCKKIWXIMBMLCD-KRXBUXKQSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C1\C(C=CCC1)=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927866 |