| SpectraBase Compound ID | LRqACITxrUG |
|---|---|
| InChI | InChI=1S/C12H20O/c1-9(2)5-10-6-11(13)8-12(3,4)7-10/h6,9H,5,7-8H2,1-4H3 |
| InChIKey | ZKQSWOFEZKRSKB-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DYUhlmspbxW |
|---|---|
| Name | 3-Sect-butyl-5,5-dimethylcyclohex-2-enone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-9(2)5-10-6-11(13)8-12(3,4)7-10/h6,9H,5,7-8H2,1-4H3 |
| InChIKey | ZKQSWOFEZKRSKB-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1(=CC(=O)CC(C1)(C)C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967078 |