| SpectraBase Spectrum ID |
542mLevzPy2 |
| Name |
Glutaric acid, di(3-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/c20-16-6-1-4-14(10-16)12-24-18(22)8-3-9-19(23)25-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-11H,3,8-9,12-13H2 |
| InChIKey |
JGCCFSUAYKAGPF-UHFFFAOYSA-N |
| Molecular Weight |
564.158 g/mol |
| SMILES |
C(OCC1=CC=CC(=C1)I)(=O)CCCC(OCC1=CC=CC(=C1)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915741 |
