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

Formula: C22H17IN2O4


Canonical SMILES:
COC(=O)c1ccc(c(c1)/N=N/c1cccc(c1)I)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C22H17IN2O4/c1-28-21(26)15-8-6-14(7-9-15)19-11-10-16(22(27)29-2)12-20(19)25-24-18-5-3-4-17(23)13-18/h3-13H,1-2H3/b25-24+
InChIKey:
MXWPJOYSNQNCMI-OCOZRVBESA-N
Exact Mass:
Crosslinks:   


Published on 2019-04-03This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

infrared absorption spectroscopy (IR) 
Authors: Jérôme Wagner1 - Patrick Hodapp1 - Sylvain Grosjean1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 2952, 1717, 1604, 1565, 1431, 1282, 1235, 1196, 1100, 1024, 1002, 917, 873, 844, 806, 785, 775, 758, 737, 701, 674, 644, 597, 554, 471, 433 cm–1.
Datasets