| SpectraBase Compound ID | JWLRbLpTvrZ |
|---|---|
| InChI | InChI=1S/C8H16OS/c1-6(2)8-4-9-7(3)10-5-8/h6-8H,4-5H2,1-3H3 |
| InChIKey | JSHXMLHPTWVJRP-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 | BKSNIsgbPXV |
|---|---|
| Name | 1,3-Oxathiane, 5-isopropyl-2-methyl- |
| 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/c1-6(2)8-4-9-7(3)10-5-8/h6-8H,4-5H2,1-3H3 |
| InChIKey | JSHXMLHPTWVJRP-UHFFFAOYSA-N |
| Molecular Weight | 160.275 g/mol |
| SMILES | C1OC(SCC1C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922117 |