| SpectraBase Compound ID | 4Ndn0984Boi |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-3-14-12(15-4-2)9-10-7-5-6-8-11(10)13/h10,12H,3-9H2,1-2H3 |
| InChIKey | MPACAQJPKFOPLB-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DlfIPAfRuPQ |
|---|---|
| Name | 2-(2,2-Diethoxyethyl)cyclohexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-3-14-12(15-4-2)9-10-7-5-6-8-11(10)13/h10,12H,3-9H2,1-2H3 |
| InChIKey | MPACAQJPKFOPLB-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | C1CCCC(C1=O)CC(OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892093 |