| SpectraBase Compound ID | F3HAA1wqEO7 |
|---|---|
| InChI | InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1,3,6,8H,2,4H2 |
| InChIKey | SQTOTUFHUQHDQK-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jqn32W6RSO7 |
|---|---|
| Name | 6-Hydroxy-1-cyclohex-2-enone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.052429496 u |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1,3,6,8H,2,4H2 |
| InChIKey | SQTOTUFHUQHDQK-UHFFFAOYSA-N |
| Molecular Weight | 112.128 g/mol |
| SMILES | C1(C=CCCC1O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868328 |