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

Formula: C68H32F24N8O4Zn


Canonical SMILES:
COc1cc2C3=N/C(=N\c4c5c(ccc(c5c5n4[Zn]n4/c(=N\3)/c3c(ccc(c3/c/4=N/C3=N/C(=N\5)/c4c3cc(OC)c(c4)OC)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)/c2cc1OC
InChI:
InChI=1S/C68H32F24N8O4.Zn/c1-101-45-21-41-42(22-46(45)102-2)54-93-53(41)95-57-49-37(25-9-29(61(69,70)71)17-30(10-25)62(72,73)74)5-6-38(26-11-31(63(75,76)77)18-32(12-26)64(78,79)80)50(49)59(99-57)97-55-43-23-47(103-3)48(104-4)24-44(43)56(94-55)98-60-52-40(28-15-35(67(87,88)89)20-36(16-28)68(90,91)92)8-7-39(51(52)58(96-54)100-60)27-13-33(65(81,82)83)19-34(14-27)66(84,85)86;/h5-24H,1-4H3;/q-2;+2
InChIKey:
PMTBSNYNWZNYBP-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 = 8.81 (s, 8H), 8.56 (s, 4H), 8.23 (s, 4H), 7.58 (s, 4H), 4.10 (s, 12H). Impurities: 2.45 (water), 1.44 (cyclohexane), 1.29 (grease), 0.11 (grease).
Datasets