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4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-[4-[4-(2-phenylethynyl)phenoxy]phenyl]ethyl]aniline
SpectraBase Compound ID 8A5qgxmdDf6
InChI InChI=1S/C34H25F3N2O/c35-34(36,37)33(26-10-16-29(38)17-11-26,27-12-18-30(39)19-13-27)28-14-22-32(23-15-28)40-31-20-8-25(9-21-31)7-6-24-4-2-1-3-5-24/h1-5,8-23H,38-39H2
InChIKey PFMKWVKGSRCCHC-UHFFFAOYSA-N
Mol Weight 534.6 g/mol
Molecular Formula C34H25F3N2O
Exact Mass 534.191898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OHMqBIDTQV
Name 4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-[4-[4-(2-phenylethynyl)phenoxy]phenyl]ethyl]aniline
Comments Less than 3 mono-isotopic peaks
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Formula C34H25F3N2O
InChI InChI=1S/C34H25F3N2O/c35-34(36,37)33(26-10-16-29(38)17-11-26,27-12-18-30(39)19-13-27)28-14-22-32(23-15-28)40-31-20-8-25(9-21-31)7-6-24-4-2-1-3-5-24/h1-5,8-23H,38-39H2
InChIKey PFMKWVKGSRCCHC-UHFFFAOYSA-N
Molecular Weight 534.582 g/mol
SMILES Nc1ccc(C(c2ccc(cc2)N)(C(F)(F)F)c2ccc(Oc3ccc(C#Cc4ccccc4)cc3)cc2)cc1
SPLASH splash10-014i-0000920000-a4e40b1d7930efec0f03
Source of Spectrum J-59-2510-15
Synonyms 4-[1-(4-aminophenyl)-2,2,2-tris(fluoranyl)-1-[4-[4-(2-phenylethynyl)phenoxy]phenyl]ethyl]aniline [4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-[4-[4-(2-phenylethynyl)phenoxy]phenyl]ethyl]phenyl]amine
Wiley ID 1403873