| SpectraBase Compound ID | IY85lnmEYBE |
|---|---|
| InChI | InChI=1S/C8H12O/c1-6-3-4-8(9)5-7(6)2/h5-6H,3-4H2,1-2H3/t6-/m0/s1 |
| InChIKey | NDFYWJZFESRLBQ-LURJTMIESA-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 | 3BKLWV5YtbO |
|---|---|
| Name | (S)-(-)-3,4-dimethyl-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/c1-6-3-4-8(9)5-7(6)2/h5-6H,3-4H2,1-2H3/t6-/m0/s1 |
| InChIKey | NDFYWJZFESRLBQ-LURJTMIESA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C1C[C@@](C(=CC1=O)C)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943983 |