| SpectraBase Compound ID | LFVWkhPFXhh |
|---|---|
| InChI | InChI=1S/C12H20O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5,11H,6-8H2,1-4H3 |
| InChIKey | QHZSAWXFJGDXFN-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 | 71CaBOd9wAA |
|---|---|
| Name | 1-(4-Tert-butyl-1-cyclohexen-1-yl)ethanone |
| 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(13)10-5-7-11(8-6-10)12(2,3)4/h5,11H,6-8H2,1-4H3 |
| InChIKey | QHZSAWXFJGDXFN-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1(=CCC(C(C)(C)C)CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969619 |