| SpectraBase Compound ID | H7EnKF3dUFI |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-5-3-6(2)8(10)4-7(5)9/h5-6H,3-4H2,1-2H3/t5-,6+ |
| InChIKey | WNYCEAPIXKWMNC-OLQVQODUSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EKOrBCpG1A3 |
|---|---|
| Name | cis-4,6-Dimethylcyclohexane-1,3-dione |
| 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/c1-5-3-6(2)8(10)4-7(5)9/h5-6H,3-4H2,1-2H3/t5-,6+ |
| InChIKey | WNYCEAPIXKWMNC-OLQVQODUSA-N |
| SMILES | C1[C@](C(CC([C@]1(C)[H])=O)=O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920174 |