| SpectraBase Compound ID | ARdsp3gd4UX |
|---|---|
| InChI | InChI=1S/C8H16OS/c1-8(2,3)7-4-9-6-10-5-7/h7H,4-6H2,1-3H3 |
| InChIKey | PHNGQYXZYSUUNR-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 | 7u7xb7tlQBm |
|---|---|
| Name | 5-Tert-butyl-1,3-oxathiane |
| 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)7-4-9-6-10-5-7/h7H,4-6H2,1-3H3 |
| InChIKey | PHNGQYXZYSUUNR-UHFFFAOYSA-N |
| Molecular Weight | 160.275 g/mol |
| SMILES | C1(COCSC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954649 |