| SpectraBase Spectrum ID |
3G3FTBtzOxL |
| Name |
Acetic acid, 6-iodo-9-oxa-bicyclo[3.3.1]non-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.042974850 u |
| Formula |
C10H19IO2 |
| InChI |
InChI=1S/C10H19IO2/c1-4-10(11)7-5-6-8(2)13-9(3)12/h8,10H,4-7H2,1-3H3 |
| InChIKey |
MBWQCIVECUVPOI-UHFFFAOYSA-N |
| Molecular Weight |
298.164 g/mol |
| Nominal Mass |
298 u |
| SMILES |
CC(CCCC(CC)I)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881594 |
![Acetic acid, 6-iodo-9-oxa-bicyclo[3.3.1]non-2-yl ester](/api/spectrum/3G3FTBtzOxL/structure.png?h=300&w=458 "Acetic acid, 6-iodo-9-oxa-bicyclo[3.3.1]non-2-yl ester")
