| SpectraBase Spectrum ID |
JdWz58XDFTQ |
| Name |
Succinic acid, di(2-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/c19-15-7-3-1-5-13(15)11-23-17(21)9-10-18(22)24-12-14-6-2-4-8-16(14)20/h1-8H,9-12H2 |
| InChIKey |
ADNHWKMNJLAVIV-UHFFFAOYSA-N |
| Molecular Weight |
550.131 g/mol |
| SMILES |
C(CCC(OCC=1C(I)=CC=CC1)=O)(OCC1=CC=CC=C1I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952108 |
