This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C12H9I3O6


Canonical SMILES:
COC(=O)c1c(I)c(C(=O)OC)c(c(c1I)C(=O)OC)I
InChI:
InChI=1S/C12H9I3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3
InChIKey:
QZCCCFBMZZXBEE-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-12-05No License

 

infrared absorption spectroscopy (IR) 
Author: Lisa Schmidt1

1. IOC AK Bräse, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 2949 (w), 2924 (w), 2849 (vw), 1741 (s), 1718 (vs), 1632 (w), 1523 (vs), 1449 (w), 1434 (m), 1350 (w), 1339 (m), 1220 (vs), 1181 (vs), 1142 (s), 1043 (w), 1010 (vw), 984 (s), 942 (w), 878 (vs), 816 (w), 799 (w), 758 (w), 748 (w), 737 (w), 659 (w), 503 (m), 416 (w) cm–1.
Datasets