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.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Authors: Fabian Thomas1 - Alexander Hoffmann1 - Sonja Herres-Pawlis

1. Rheinisch Westfälische Technische Hochschule Aachen, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, CD2Cl2, ppm) δ = 154.6 (C-5), 153.5 (2C, C-8), 152.6 (C-17), 149.3 (C-1), 139.9 (C-3), 128.5 (d, 2C, C-7), 126.9 (d, 2C, C-9), 125.8 (C-2), 125.4 (C-4), 73.0 (d, C-6), 43.1 (d, 2C, C-13), 36.3 (d, 2C, C-15), 32.9 (d, 2C, C-11), 28.6 (d, 6C, C-16), 27.9 (d, 2C, C-10), 25.0 (d, 2C, C-12), 21.3 (d, 2C, C-14), 3.4 (C-18).
Datasets