| SpectraBase Spectrum ID |
GMUyj7BQW78 |
| Name |
5.alpha.,6.alpha.11.alpha.,12.alpha.-Tetraacetoxy-8,9-diiodopentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
643.940407660 u |
| Formula |
C20H22I2O8 |
| InChI |
InChI=1S/C20H22I2O8/c1-5(23)27-15-11-9-10-13-17(29-7(3)25)18(30-8(4)26)14(10)20(22,19(11,13)21)12(9)16(15)28-6(2)24/h9-18H,1-4H3 |
| InChIKey |
OOLMRJQHTVNJEB-UHFFFAOYSA-N |
| Molecular Weight |
644.197 g/mol |
| SMILES |
C12(C3(C4C(C2C(C4OC(=O)C)OC(=O)C)C2C1C(C(OC(=O)C)C32)OC(=O)C)I)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83637 |
![5.alpha.,6.alpha.11.alpha.,12.alpha.-Tetraacetoxy-8,9-diiodopentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodecane](/api/spectrum/GMUyj7BQW78/structure.png?h=300&w=458 "5.alpha.,6.alpha.11.alpha.,12.alpha.-Tetraacetoxy-8,9-diiodopentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodecane")
