| SpectraBase Spectrum ID |
4SsR5LMJ2fs |
| Name |
5-Acetoxymethyl-9-iodo-8-oxatricyclo[4.2.1.0(2,6)]nonan-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.985853895 u |
| Formula |
C11H13IO4 |
| InChI |
InChI=1S/C11H13IO4/c1-5(13)15-4-6-2-3-7-8-9(12)11(6,7)10(14)16-8/h6-9H,2-4H2,1H3 |
| InChIKey |
GQBMMXAGLDNNKQ-UHFFFAOYSA-N |
| Molecular Weight |
336.125 g/mol |
| SMILES |
C123C(OC(C3I)C1CCC2COC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853521 |
![5-Acetoxymethyl-9-iodo-8-oxatricyclo[4.2.1.0(2,6)]nonan-7-one](/api/spectrum/4SsR5LMJ2fs/structure.png?h=300&w=458 "5-Acetoxymethyl-9-iodo-8-oxatricyclo[4.2.1.0(2,6)]nonan-7-one")
