SpectraBase Spectrum ID |
DRBuVYj368c |
Name |
Succinic 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 |
549.913798991 u |
Formula |
C18H16I2O4 |
InChI |
InChI=1S/C18H16I2O4/c19-15-5-1-13(2-6-15)11-23-17(21)9-10-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2 |
InChIKey |
FXNGDLFMXCRAQM-UHFFFAOYSA-N |
Molecular Weight |
550.131 g/mol |
SMILES |
C1(=CC=C(C=C1)COC(=O)CCC(OCC1=CC=C(C=C1)I)=O)I |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943176 |