| SpectraBase Compound ID | BeP75ugS9ue |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-6-3-7(2)5-10-8(9)4-6/h6-7H,3-5H2,1-2H3 |
| InChIKey | VVLPGJXZNVPGDX-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JS6wFreKEKn |
|---|---|
| Name | 4,6-Dimethyloxepan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-6-3-7(2)5-10-8(9)4-6/h6-7H,3-5H2,1-2H3 |
| InChIKey | VVLPGJXZNVPGDX-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C1(OCC(CC(C1)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972305 |