| SpectraBase Spectrum ID |
5ehtG3RXUFH |
| Name |
1,7,7-Trimethyl-2,8-dioxa-6,6'-dioxo-6-thiabicyclo-[3.2.1]-octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.061280101 u |
| Formula |
C8H14O4S |
| InChI |
InChI=1S/C8H14O4S/c1-7(2)8(3)11-4-6(12-8)5-13(7,9)10/h6H,4-5H2,1-3H3/t6-,8-/m0/s1 |
| InChIKey |
YEXQPZQKCQKMST-XPUUQOCRSA-N |
| Molecular Weight |
206.256 g/mol |
| SMILES |
C1O[C@]2(O[C@@]1(CS(C2(C)C)(=O)=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943128 |
![1,7,7-Trimethyl-2,8-dioxa-6,6'-dioxo-6-thiabicyclo-[3.2.1]-octane](/api/spectrum/5ehtG3RXUFH/structure.png?h=300&w=458 "1,7,7-Trimethyl-2,8-dioxa-6,6'-dioxo-6-thiabicyclo-[3.2.1]-octane")
