| SpectraBase Compound ID | BGGn4ouqTeN |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-6-4-9(12)5-7(2)10(6)8(3)11/h4,7,10H,5H2,1-3H3 |
| InChIKey | AHTHOKSCYQROLR-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EU8gPvFAPJN |
|---|---|
| Name | 4-Acetyl-3,5-dimethyl-1-cyclohex-2-enone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-6-4-9(12)5-7(2)10(6)8(3)11/h4,7,10H,5H2,1-3H3 |
| InChIKey | AHTHOKSCYQROLR-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C1(=CC(=O)CC(C1C(=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946398 |