| SpectraBase Compound ID | 6OBSx2HGJAn |
|---|---|
| InChI | InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3 |
| InChIKey | DJCDJUMICVADAG-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IpQZ5uV8UxE |
|---|---|
| Name | Ethanone, 1-(3-cyclohexen-1-yl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3 |
| InChIKey | DJCDJUMICVADAG-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | CC(=O)C1CCC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976744 |