| SpectraBase Compound ID | CFmY5yFkSjf |
|---|---|
| InChI | InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5H,1,6-9H2,2-4H3 |
| InChIKey | CZQIKCBGQZBANA-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CQJ1WjBRMaG |
|---|---|
| Name | 3-but-3-Enyl-2,4,4-trimethylcyclohex-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5H,1,6-9H2,2-4H3 |
| InChIKey | CZQIKCBGQZBANA-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C1(=O)CCC(C(=C1C)CCC=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906732 |