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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 2021-10-16

19F nuclear magnetic resonance spectroscopy (19F NMR)

Authors: Fabian Thomas¹ - Alexander Hoffmann¹ - Sonja Herres-Pawlis

1. Rheinisch Westfälische Technische Hochschule Aachen, Germany

Analysis DOI:

Analysis ID:

Content:

19F {1H} NMR ( 377 MHz, CD2Cl2): δ = -73.1 (d, J = 711 Hz) ppm.

Datasets

19F [Cu{HC(PulPz)2Py}(MeCN)]PF6
19F

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