| SpectraBase Compound ID | 4a1So3X7YRd |
|---|---|
| InChI | InChI=1S/C11H20O/c1-6-8-9(12)11(4,5)7-10(8,2)3/h8H,6-7H2,1-5H3 |
| InChIKey | WRSDVQKUDDVKDY-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9cHdGQRunwl |
|---|---|
| Name | 5-Ethyl-2,2,4,4-tetramethylcyclopentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-6-8-9(12)11(4,5)7-10(8,2)3/h8H,6-7H2,1-5H3 |
| InChIKey | WRSDVQKUDDVKDY-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C1(C(CC(C1CC)(C)C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943126 |