| SpectraBase Compound ID | 76imlKW6Es2 |
|---|---|
| InChI | InChI=1S/C8H16OS/c1-8(2,3)7-6-9-4-5-10-7/h7H,4-6H2,1-3H3 |
| InChIKey | LUIBQAUQYWLVGS-UHFFFAOYSA-N |
| Mol Weight | 160.27 g/mol |
| Molecular Formula | C8H16OS |
| Exact Mass | 160.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IHTRap1ry03 |
|---|---|
| Name | 1,3-Oxathiane, 5-tert.-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.092186308 u |
| Formula | C8H16OS |
| InChI | InChI=1S/C8H16OS/c1-8(2,3)7-6-9-4-5-10-7/h7H,4-6H2,1-3H3 |
| InChIKey | LUIBQAUQYWLVGS-UHFFFAOYSA-N |
| Molecular Weight | 160.275 g/mol |
| SMILES | C1(COCCS1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98357 |