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4-[1-(4-aminophenyl)-1-[4-(4-ethynylphenoxy)phenyl]-2,2,2-trifluoro-ethyl]aniline
SpectraBase Compound ID BJIYijy8itE
InChI InChI=1S/C28H21F3N2O/c1-2-19-3-15-25(16-4-19)34-26-17-9-22(10-18-26)27(28(29,30)31,20-5-11-23(32)12-6-20)21-7-13-24(33)14-8-21/h1,3-18H,32-33H2
InChIKey CHCIGDINCWHYMM-UHFFFAOYSA-N
Mol Weight 458.48 g/mol
Molecular Formula C28H21F3N2O
Exact Mass 458.160598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8veTxW5jJFu
Name 4-[1-(4-aminophenyl)-1-[4-(4-ethynylphenoxy)phenyl]-2,2,2-trifluoro-ethyl]aniline
Alternate Name(s) 4-[1-(4-aminophenyl)-1-[4-(4-ethynylphenoxy)phenyl]-2,2,2-tris(fluoranyl)ethyl]aniline [4-[1-(4-aminophenyl)-1-[4-(4-ethynylphenoxy)phenyl]-2,2,2-trifluoro-ethyl]phenyl]amine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21F3N2O
InChI InChI=1S/C28H21F3N2O/c1-2-19-3-15-25(16-4-19)34-26-17-9-22(10-18-26)27(28(29,30)31,20-5-11-23(32)12-6-20)21-7-13-24(33)14-8-21/h1,3-18H,32-33H2
InChIKey CHCIGDINCWHYMM-UHFFFAOYSA-N
Molecular Weight 458.484 g/mol
SMILES Nc1ccc(C(c2ccc(cc2)N)(C(F)(F)F)c2ccc(Oc3ccc(C#C)cc3)cc2)cc1
SPLASH splash10-000i-0009100000-f05f8bde27f97d1269d9
Source of Spectrum J-59-2509-13
Wiley ID 1389938