| SpectraBase Compound ID | Jexx7RetP7s |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-8(2)6(9)4-3-5-7(8)10/h3-5H2,1-2H3 |
| InChIKey | AOPBDTHQAIWWMI-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4VMuIqCX8lK |
|---|---|
| Name | 2,2-Dimethyl-1,3-cyclohexanedione |
| 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/c1-8(2)6(9)4-3-5-7(8)10/h3-5H2,1-2H3 |
| InChIKey | AOPBDTHQAIWWMI-UHFFFAOYSA-N |
| SMILES | C1(C(CCCC1=O)=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.975357 |