| SpectraBase Compound ID | 8VUSuGRl5Zh |
|---|---|
| InChI | InChI=1S/C12H16OS/c1-12(2,3)11-9-6-4-5-7-10(9)14-8-13-11/h4-7,11H,8H2,1-3H3 |
| InChIKey | CZSFYBMIBAMHNL-UHFFFAOYSA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C12H16OS |
| Exact Mass | 208.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5SNm4njkOQ1 |
|---|---|
| Name | 4-Tert-butyl-4H-3,1-benzoxathiin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.092186308 u |
| Formula | C12H16OS |
| InChI | InChI=1S/C12H16OS/c1-12(2,3)11-9-6-4-5-7-10(9)14-8-13-11/h4-7,11H,8H2,1-3H3 |
| InChIKey | CZSFYBMIBAMHNL-UHFFFAOYSA-N |
| Molecular Weight | 208.319 g/mol |
| SMILES | C=12C(OCSC2=CC=CC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864526 |