| SpectraBase Compound ID | 18oDyiLyCx2 |
|---|---|
| InChI | InChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h5H,2-4,6H2,1H3 |
| InChIKey | AHAATKOSNXIXCX-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 53HtUoDttHN |
|---|---|
| Name | 2-Ethyl-2-cyclohexen-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h5H,2-4,6H2,1H3 |
| InChIKey | AHAATKOSNXIXCX-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C1C(C(=CCC1)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987318 |