| SpectraBase Compound ID | 6YzZF1zuSRm |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-2-11(13)8-5-7-10-6-3-4-9-12(10)14/h10H,2-9H2,1H3 |
| InChIKey | WTQZLWAGPFMOKX-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EpexvkR1YGk |
|---|---|
| Name | Cyclohexanone, 2-(4-oxohexyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-2-11(13)8-5-7-10-6-3-4-9-12(10)14/h10H,2-9H2,1H3 |
| InChIKey | WTQZLWAGPFMOKX-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1(=O)C(CCCC(=O)CC)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924467 |