| SpectraBase Spectrum ID |
39BPxQRNy9o |
| Name |
2,6-Methano[2]benzothieno[5,6-B]oxirene, octahydro-, 4,4-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.050715417 u |
| Formula |
C9H12O3S |
| InChI |
InChI=1S/C9H12O3S/c10-13(11)2-6-4-1-5(7(6)3-13)9-8(4)12-9/h4-9H,1-3H2 |
| InChIKey |
YNLQFWZYIYWAAU-UHFFFAOYSA-N |
| Molecular Weight |
200.252 g/mol |
| SMILES |
C12C(C3CC2C2C3CS(C2)(=O)=O)O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862137 |
![2,6-Methano[2]benzothieno[5,6-b]oxirene, octahydro-, 4,4-dioxide](/api/spectrum/39BPxQRNy9o/structure.png?h=300&w=458 "2,6-Methano[2]benzothieno[5,6-b]oxirene, octahydro-, 4,4-dioxide")
