| SpectraBase Compound ID | K4eQlzXf5uR |
|---|---|
| InChI | InChI=1S/C9H14O/c1-7-6-9(2,3)5-4-8(7)10/h4-5,7H,6H2,1-3H3 |
| InChIKey | PLXVUZMJQPEWPH-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ajs1LJUvHBq |
|---|---|
| Name | 2-Cyclohexen-1-one, 4,4,6-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-7-6-9(2,3)5-4-8(7)10/h4-5,7H,6H2,1-3H3 |
| InChIKey | PLXVUZMJQPEWPH-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | CC1(C)CC(C)C(C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967719 |