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4,6,4',6'-tetrakis[(3''-Trifluoromethylphenyl]-4H,6H,4' H,6' H-[2,2']bis(imidazo[4,5-d]imidazolylidene-5,5'-dithione
SpectraBase Compound ID DEL0A9u0adR
InChI InChI=1S/C36H16F12N8S2/c37-33(38,39)17-5-1-9-21(13-17)53-27-28(54(31(53)57)22-10-2-6-18(14-22)34(40,41)42)50-25(49-27)26-51-29-30(52-26)56(24-12-4-8-20(16-24)36(46,47)48)32(58)55(29)23-11-3-7-19(15-23)35(43,44)45/h1-16H
InChIKey OOGIQVBOQNRRCB-UHFFFAOYSA-N
Mol Weight 852.7 g/mol
Molecular Formula C36H16F12N8S2
Exact Mass 852.074773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzhgxpPAV80
Name 4,6,4',6'-tetrakis[(3''-Trifluoromethylphenyl]-4H,6H,4' H,6' H-[2,2']bis(imidazo[4,5-d]imidazolylidene-5,5'-dithione
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Formula C36H16F12N8S2
InChI InChI=1S/C36H16F12N8S2/c37-33(38,39)17-5-1-9-21(13-17)53-27-28(54(31(53)57)22-10-2-6-18(14-22)34(40,41)42)50-25(49-27)26-51-29-30(52-26)56(24-12-4-8-20(16-24)36(46,47)48)32(58)55(29)23-11-3-7-19(15-23)35(43,44)45/h1-16H
InChIKey OOGIQVBOQNRRCB-UHFFFAOYSA-N
Molecular Weight 852.681 g/mol
SMILES C=12N(C(N(C2=NC(=C2N=C3N(c4cc(C(F)(F)F)ccc4)C(N(C3=N2)c2cc(C(F)(F)F)ccc2)=S)N1)c1cc(C(F)(F)F)ccc1)=S)c1cc(C(F)(F)F)ccc1
SPLASH splash10-0f6x-0129000060-0178d2a037749e3a5ec5
Source of Spectrum U-1997-621-10
Wiley ID 769602