| SpectraBase Compound ID | IdourueJJZk |
|---|---|
| InChI | InChI=1S/C10H20OS/c1-8-6-7-12-10(5,11-8)9(2,3)4/h8H,6-7H2,1-5H3 |
| InChIKey | NNFJMZAURXHYTE-UHFFFAOYSA-N |
| Mol Weight | 188.33 g/mol |
| Molecular Formula | C10H20OS |
| Exact Mass | 188.123486 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HiHktazCHG4 |
|---|---|
| Name | 1,3-Oxathiane, 2-tert-butyl-2,6-dimethyl-, stereoisomer |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.123486437 u |
| Formula | C10H20OS |
| InChI | InChI=1S/C10H20OS/c1-8-6-7-12-10(5,11-8)9(2,3)4/h8H,6-7H2,1-5H3 |
| InChIKey | NNFJMZAURXHYTE-UHFFFAOYSA-N |
| Molecular Weight | 188.329 g/mol |
| SMILES | C1(OC(SCC1)(C)C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968575 |