| SpectraBase Compound ID | ExJuxYLpYc |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-4-7-6(9)5-10-8(2,3)11-7/h7H,4-5H2,1-3H3/t7-/m0/s1 |
| InChIKey | QHFVEOIITXJDDM-ZETCQYMHSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Akg3FxTwXsx |
|---|---|
| Name | (S)-6-Ethyl-2,2-dimethyl-1,3-dioxan-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-4-7-6(9)5-10-8(2,3)11-7/h7H,4-5H2,1-3H3/t7-/m0/s1 |
| InChIKey | QHFVEOIITXJDDM-ZETCQYMHSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C1(O[C@](C(CO1)=O)(CC)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888747 |