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2-(5-Methoxy-4,6-bis(3-(trifluoromethyl)phenyl)-5,6-dihydroimidazo[4,5-d]imidazol-2(4H)-ylidene)-N4,N5-bis(3-(trifluoromethyl)phenyl)-2H-imidazole-4,5-diamine
SpectraBase Compound ID 4zPbAdbrN2i
InChI InChI=1S/C36H22F12N8O/c1-57-32-55(24-12-4-8-20(16-24)35(43,44)45)30-31(56(32)25-13-5-9-21(17-25)36(46,47)48)54-29(53-30)28-51-26(49-22-10-2-6-18(14-22)33(37,38)39)27(52-28)50-23-11-3-7-19(15-23)34(40,41)42/h2-17,32H,1H3,(H,49,51)(H,50,52)
InChIKey NEJRWTYMOKHIHT-UHFFFAOYSA-N
Mol Weight 810.6 g/mol
Molecular Formula C36H22F12N8O
Exact Mass 810.172495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKE7HOj04Ut
Name 2-(5-Methoxy-4,6-bis(3-(trifluoromethyl)phenyl)-5,6-dihydroimidazo[4,5-d]imidazol-2(4H)-ylidene)-N4,N5-bis(3-(trifluoromethyl)phenyl)-2H-imidazole-4,5-diamine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H22F12N8O
InChI InChI=1S/C36H22F12N8O/c1-57-32-55(24-12-4-8-20(16-24)35(43,44)45)30-31(56(32)25-13-5-9-21(17-25)36(46,47)48)54-29(53-30)28-51-26(49-22-10-2-6-18(14-22)33(37,38)39)27(52-28)50-23-11-3-7-19(15-23)34(40,41)42/h2-17,32H,1H3,(H,49,51)(H,50,52)
InChIKey NEJRWTYMOKHIHT-UHFFFAOYSA-N
Molecular Weight 810.608 g/mol
SMILES N(C1=NC(N=C1Nc1cccc(c1)C(F)(F)F)=C1N=C2C(=N1)N(C(N2c1cc(ccc1)C(F)(F)F)OC)c1cc(ccc1)C(F)(F)F)c1cc(ccc1)C(F)(F)F
SPLASH splash10-03dl-0530300690-1860751eea93f9b765e6
Source of Spectrum JF-340-330-25a
Wiley ID 1766566