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(syn)-5,5'-Diethoxy-4,6,4',6'-tetrakis[(3''-trifluoromethylphenyl]-5,6,5',6'-tetrahydro-4H,4' H-[2,2']bis(imidazo[4,5-d]imidazolylidene

View entire compound with spectra: 2 MS (GC)

(syn)-5,5'-Diethoxy-4,6,4',6'-tetrakis[(3''-trifluoromethylphenyl]-5,6,5',6'-tetrahydro-4H,4' H-[2,2']bis(imidazo[4,5-d]imidazolylidene
SpectraBase Compound ID CcAFx3Vvoq2
InChI InChI=1S/C40H28F12N8O2/c1-3-61-35-57(25-13-5-9-21(17-25)37(41,42)43)31-32(58(35)26-14-6-10-22(18-26)38(44,45)46)54-29(53-31)30-55-33-34(56-30)60(28-16-8-12-24(20-28)40(50,51)52)36(62-4-2)59(33)27-15-7-11-23(19-27)39(47,48)49/h5-20,35-36H,3-4H2,1-2H3/b30-29-
InChIKey SNVXWXZTMLLSRG-FLWNBWAVSA-N
Mol Weight 880.7 g/mol
Molecular Formula C40H28F12N8O2
Exact Mass 880.21436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjV3vP3nfRQ
Name (syn)-5,5'-Diethoxy-4,6,4',6'-tetrakis[(3''-trifluoromethylphenyl]-5,6,5',6'-tetrahydro-4H,4' H-[2,2']bis(imidazo[4,5-d]imidazolylidene
Alternate Name(s) (anti)-5,5'-Diethoxy-4,6,4',6'-tetrakis[(3''-trifluoromethylphenyl]-5,6,5',6'-tetrahydro-4H,4' H-[2,2']bis(imidazo[4,5-d]imidazolylidene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H28F12N8O2
InChI InChI=1S/C40H28F12N8O2/c1-3-61-35-57(25-13-5-9-21(17-25)37(41,42)43)31-32(58(35)26-14-6-10-22(18-26)38(44,45)46)54-29(53-31)30-55-33-34(56-30)60(28-16-8-12-24(20-28)40(50,51)52)36(62-4-2)59(33)27-15-7-11-23(19-27)39(47,48)49/h5-20,35-36H,3-4H2,1-2H3/b30-29-
InChIKey SNVXWXZTMLLSRG-FLWNBWAVSA-N
Molecular Weight 880.699 g/mol
SMILES C1=2C(N(c3cc(C(F)(F)F)ccc3)C(N1c1cc(C(F)(F)F)ccc1)OCC)=NC(=C1N=C3N(c4cc(C(F)(F)F)ccc4)C(N(C3=N1)c1cc(C(F)(F)F)ccc1)OCC)N2
SPLASH splash10-001l-0066100090-4570f96da70b3a72abb8
Source of Spectrum U-1997-621-12
Wiley ID 769599