| SpectraBase Spectrum ID |
Ga16O9SI0Rf |
| Name |
(1R*,2R*,3S*,6R*,7R*)-7-Iodo-11-oxabicyclo[4.4.1]undecane-2,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.022239404 u |
| Formula |
C10H17IO3 |
| InChI |
InChI=1S/C10H17IO3/c11-6-2-1-3-9-10(13)7(12)4-5-8(6)14-9/h6-10,12-13H,1-5H2/t6-,7+,8-,9-,10-/m1/s1 |
| InChIKey |
QSYCNEBRKTXEER-JDDHQFAOSA-N |
| Molecular Weight |
312.147 g/mol |
| SMILES |
[C@]12(O[C@](CC[C@@]([C@]2(O)[H])(O)[H])([C@](I)(CCC1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940317 |
![(1R*,2R*,3S*,6R*,7R*)-7-Iodo-11-oxabicyclo[4.4.1]undecane-2,3-diol](/api/spectrum/Ga16O9SI0Rf/structure.png?h=300&w=458 "(1R*,2R*,3S*,6R*,7R*)-7-Iodo-11-oxabicyclo[4.4.1]undecane-2,3-diol")
