| SpectraBase Compound ID | Bdps5lFGPYD |
|---|---|
| InChI | InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3 |
| InChIKey | DCSKAMGZSIRJAQ-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ei35PnOoAGC |
|---|---|
| Name | 4-Tert-pentylcyclohexanone |
| 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/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3 |
| InChIKey | DCSKAMGZSIRJAQ-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | CC(C1CCC(=O)CC1)(C)CC |
| Spectrum/Structure Validation Score (Raman) | 0.993582 |