| SpectraBase Compound ID | 1PU2eY6tT9j |
|---|---|
| InChI | InChI=1S/C15H26O/c1-5-15(6-2,13(4)16)12(3)14-10-8-7-9-11-14/h5-11H2,1-4H3 |
| InChIKey | PPJNNRNUEHDYSI-UHFFFAOYSA-N |
| Mol Weight | 222.37 g/mol |
| Molecular Formula | C15H26O |
| Exact Mass | 222.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FCBO5xT8ITg |
|---|---|
| Name | 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.198365456 u |
| Formula | C15H26O |
| InChI | InChI=1S/C15H26O/c1-5-15(6-2,13(4)16)12(3)14-10-8-7-9-11-14/h5-11H2,1-4H3 |
| InChIKey | PPJNNRNUEHDYSI-UHFFFAOYSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | CCC(C(C)=O)(CC)C(=C1CCCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83773 |