| SpectraBase Compound ID | 1DPMkhuDeJ3 |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-6(9)11-8-4-2-3-7(10)5-8/h8H,2-5H2,1H3 |
| InChIKey | SHBSJXDUJMMRFE-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FQPqvdLbT6H |
|---|---|
| Name | 3-Oxocyclohexyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-6(9)11-8-4-2-3-7(10)5-8/h8H,2-5H2,1H3 |
| InChIKey | SHBSJXDUJMMRFE-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C(C)(=O)OC1CC(CCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977295 |