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1,2-diphenylethyl 4-(trifluoromethyl) benzoate
SpectraBase Compound ID 97QHJj8NH6e
InChI InChI=1S/C22H17F3O2/c23-22(24,25)19-13-11-18(12-14-19)21(26)27-20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14,20H,15H2
InChIKey PKQWEOURKMRCAD-UHFFFAOYSA-N
Mol Weight 370.37 g/mol
Molecular Formula C22H17F3O2
Exact Mass 370.118064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDKpPs9C50F
Name 1,2-diphenylethyl 4-(trifluoromethyl) benzoate
Appearance Colorless solid
Carrier Gas Methane
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Exact Mass 370.118064274 u
Formula C22H17F3O2
InChI InChI=1S/C22H17F3O2/c23-22(24,25)19-13-11-18(12-14-19)21(26)27-20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14,20H,15H2
InChIKey PKQWEOURKMRCAD-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Molecular Weight 370.371 g/mol
Quality 86
Reported Formula C22H17F3O2
SMILES C1(=CC=CC=C1)CC(C1=CC=CC=C1)OC(C1=CC=C(C=C1)C(F)(F)F)=O
SPLASH splash10-00di-0910000000-8fd2db6bb9ab62cd68f3
Source of Spectrum QE-28-SM12-3g (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.25 (n-pentane/EtOAc, 40:1)
Wiley ID 1900683