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1-((2-chlorophenyl)diphenylmethyl)-2-((4-(trifluoromethyl)phenyl)ethynyl)-1H-imidazole
SpectraBase Compound ID Gbdr31DnPpg
InChI InChI=1S/C31H20ClF3N2/c32-28-14-8-7-13-27(28)30(24-9-3-1-4-10-24,25-11-5-2-6-12-25)37-22-21-36-29(37)20-17-23-15-18-26(19-16-23)31(33,34)35/h1-16,18-19,21-22H
InChIKey JKTXAIRJUHGLHC-UHFFFAOYSA-N
Mol Weight 512.96 g/mol
Molecular Formula C31H20ClF3N2
Exact Mass 512.126711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrZhfCEqyIE
Name 1-((2-chlorophenyl)diphenylmethyl)-2-((4-(trifluoromethyl)phenyl)ethynyl)-1H-imidazole
Appearance Brown oil
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Formula C31H20ClF3N2
InChI InChI=1S/C31H20ClF3N2/c32-28-14-8-7-13-27(28)30(24-9-3-1-4-10-24,25-11-5-2-6-12-25)37-22-21-36-29(37)20-17-23-15-18-26(19-16-23)31(33,34)35/h1-16,18-19,21-22H
InChIKey JKTXAIRJUHGLHC-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202206176
Molecular Weight 512.963 g/mol
Quality 7
Reported Formula C31H20ClF3N2
SMILES C=1C=CC=C(C(N2C(C#CC3=CC=C(C=C3)C(F)(F)F)=NC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C1Cl
SPLASH splash10-004i-0290000000-05a5ca1f383a4040b636
Source of Spectrum ACI-61-SM58-10m (DOI: 10.1002/anie.202206176)
Wiley ID 1897728