| SpectraBase Compound ID | La1jGtG8xDQ |
|---|---|
| InChI | InChI=1S/C7H14OS/c1-5-4-9-7(3)8-6(5)2/h5-7H,4H2,1-3H3 |
| InChIKey | QVEVMFNTJKZPNQ-UHFFFAOYSA-N |
| Mol Weight | 146.25 g/mol |
| Molecular Formula | C7H14OS |
| Exact Mass | 146.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hytb4QxoG50 |
|---|---|
| Name | 2,5,6-Trimethyl-1,3-oxathiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.076536244 u |
| Formula | C7H14OS |
| InChI | InChI=1S/C7H14OS/c1-5-4-9-7(3)8-6(5)2/h5-7H,4H2,1-3H3 |
| InChIKey | QVEVMFNTJKZPNQ-UHFFFAOYSA-N |
| SMILES | C1(C(OC(SC1)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831962 |