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

Formula: C64H20F28N8Zn


Canonical SMILES:
Fc1cc2/C/3=N/c4c5c(ccc(c5c5n4[Zn]n4/c(=N\C(=N3)c2cc1F)/c1c(ccc(c1/c/4=N/C1=N/C(=N\5)/c2cc(F)c(cc12)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C64H20F28N8.Zn/c65-41-17-37-38(18-42(41)66)51-93-49(37)95-53-45-33(21-5-25(57(69,70)71)13-26(6-21)58(72,73)74)1-2-34(22-7-27(59(75,76)77)14-28(8-22)60(78,79)80)46(45)54(99-53)96-50-39-19-43(67)44(68)20-40(39)52(94-50)98-56-48-36(24-11-31(63(87,88)89)16-32(12-24)64(90,91)92)4-3-35(47(48)55(97-51)100-56)23-9-29(61(81,82)83)15-30(10-23)62(84,85)86;/h1-20H;/q-2;+2
InChIKey:
LWKAZZLXGDNWMV-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-07This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Lukas Langer1

1. IOC, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, THF-d8 [3.58 ppm], ppm) δ = 8.83 (d, J = 13.9 Hz, 8H), 8.59 (d, J = 19.4 Hz, 4H), 8.26 (t, J = 6.9 Hz, 4H), 7.85 (dd, J = 12.1 Hz, J = 2.9 Hz, 2H), 7.67 (d, J = 7.6 Hz, 2H). Impurities: 7.55–7.53 (unknown), 7.31–7.29 (unknown), 3.19 (unknown), 2.46 (water), 2.42 (unknown), 1.33 (grease), 0.15 (grease).
Datasets