| SpectraBase Compound ID | KyJjI7MgeV3 |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-5-3-4-6(2)8(10)7(5)9/h5,10H,3-4H2,1-2H3 |
| InChIKey | VPPPLRGAPXVWJO-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Azru3bY14S |
|---|---|
| Name | 2-Hydroxy-3,6-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 | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-5-3-4-6(2)8(10)7(5)9/h5,10H,3-4H2,1-2H3 |
| InChIKey | VPPPLRGAPXVWJO-UHFFFAOYSA-N |
| SMILES | C=1(C(=O)C(C)CCC1C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805939 |