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

Formula: C32H46CuF6N6P


Canonical SMILES:
F[P-](F)(F)(F)(F)F.C[C@@H]1CC[C@H](c2c1cn(n2)C(n1cc2c(n1)[C@@H](CC[C@H]2C)C(C)(C)C)c1ccccn1)C(C)(C)C.CC#N.[Cu+]
InChI:
InChI=1S/C30H43N5.C2H3N.Cu.F6P/c1-19-12-14-23(29(3,4)5)26-21(19)17-34(32-26)28(25-11-9-10-16-31-25)35-18-22-20(2)13-15-24(27(22)33-35)30(6,7)8;1-2-3;;1-7(2,3,4,5)6/h9-11,16-20,23-24,28H,12-15H2,1-8H3;1H3;;/q;;+1;-1/t19-,20-,23-,24-;;;/m1.../s1
InChIKey:
IOWUBGJSYWBQTK-SPFGKSOKSA-N
Exact Mass:
Crosslinks:   


Published on 2021-10-16This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Authors: Fabian Thomas1 - Alexander Hoffmann1 - Sonja Herres-Pawlis

1. Rheinisch Westfälische Technische Hochschule Aachen, Germany

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, CD2Cl2, ppm) δ = 8.56 (d, 3J = 4.8 Hz, 1H, H-1), 7.94 (m, 2H, H-3, H-4), 7.61 (d, 3J = 6.8 Hz, 2H, H-7), 7.49 (m, 2H, H-2, H-6), 2.66 (t, 3J = 8.0 Hz, 2H, H-13), 2.50 (m, 2H, H-10), 2.34 (s, 3H, H-18), 1.90 (m, 2H,  H-12), 1.84 (m, 2H, H-11), 1.67 (m, 2H, H-12), 1.08 (2xs, 6H, H-14), 0.96 (m, 2H, H-11), 0.82 (2xs, 18H, H-16).
Datasets