| SpectraBase Compound ID | 4yHcrKwacQu |
|---|---|
| InChI | InChI=1S/C8H12O/c1-6-3-4-7(2)8(9)5-6/h4,6H,3,5H2,1-2H3/t6-/m1/s1 |
| InChIKey | DOHDEMCKFSQGLE-ZCFIWIBFSA-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 | 9qqTSiTbO4t |
|---|---|
| Name | 2-Cyclohexen-1-one, 2,5-dimethyl-, (R)- |
| 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/c1-6-3-4-7(2)8(9)5-6/h4,6H,3,5H2,1-2H3/t6-/m1/s1 |
| InChIKey | DOHDEMCKFSQGLE-ZCFIWIBFSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C1(C(=CC[C@](C1)(C)[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973419 |