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

Formula: C20H18INO2


Canonical SMILES:
COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)I
InChI:
InChI=1S/C20H18INO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3
InChIKey:
VGQDQJMYUYSINZ-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-02-26This work is licensed under a Creative Commons Attribution 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Henrik Tappert1

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

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 7.44–7.39 (m, 2H), 7.07–6.97 (m, 4H), 6.88–6.78 (m, 4H), 6.71–6.66 (m, 2H), 3.78 (s, 6H, OMe-CH3). Impurities: 4.12 ppm + 2.05 ppm + 1.23 ppm (EtOAc), 1.56 ppm (water), 1.43 ppm, (cHex), 0.07 ppm (silicon grease).
Datasets