| SpectraBase Compound ID | FdygdF1E96D |
|---|---|
| InChI | InChI=1S/C14H26O/c1-3-5-10-14(11-6-4-2)12-8-7-9-13(14)15/h3-12H2,1-2H3 |
| InChIKey | AADJLICWKSSPGR-UHFFFAOYSA-N |
| Mol Weight | 210.36 g/mol |
| Molecular Formula | C14H26O |
| Exact Mass | 210.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AoigYwv1Zjg |
|---|---|
| Name | Cyclohexanone, 2,2-dibutyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.198365456 u |
| Formula | C14H26O |
| InChI | InChI=1S/C14H26O/c1-3-5-10-14(11-6-4-2)12-8-7-9-13(14)15/h3-12H2,1-2H3 |
| InChIKey | AADJLICWKSSPGR-UHFFFAOYSA-N |
| Molecular Weight | 210.361 g/mol |
| SMILES | C1(C(=O)CCCC1)(CCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839867 |