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

Formula: C20H6F8N8


Canonical SMILES:
Fc1c(/C=N/c2ccc(cc2)/N=C/c2c(F)c(F)c(c(c2F)F)N=[N+]=[N-])c(F)c(c(c1F)N=[N+]=[N-])F
InChI:
InChI=1S/C20H6F8N8/c21-11-9(12(22)16(26)19(15(11)25)33-35-29)5-31-7-1-2-8(4-3-7)32-6-10-13(23)17(27)20(34-36-30)18(28)14(10)24/h1-6H/b31-5+,32-6+
InChIKey:
IPBROAUZYSQGDN-JHSDGAPCSA-N
Exact Mass:
Crosslinks:   


Published on 2023-12-05No License

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Lisa Schmidt1

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

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.63 (s, 2H), 7.33–7.32 (m, 4H). Impurity: water contained in the deuterated solvent at 1.56 ppm.
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