| SpectraBase Spectrum ID |
FvLvEXyVcj5 |
| Name |
Glutaric acid, di(4-iodobenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
563.929449056 u |
| Formula |
C19H18I2O4 |
| InChI |
InChI=1S/C19H18I2O4/c20-16-8-4-14(5-9-16)12-24-18(22)2-1-3-19(23)25-13-15-6-10-17(21)11-7-15/h4-11H,1-3,12-13H2 |
| InChIKey |
CPFMCYWLWCXEMB-UHFFFAOYSA-N |
| Molecular Weight |
564.158 g/mol |
| SMILES |
C(OCC=1C=CC(=CC1)I)(=O)CCCC(OCC1=CC=C(C=C1)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941516 |
