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1,2-diphenylethyl 5-(trifluoromethyl)picolinate
SpectraBase Compound ID G7gCkEHoHEc
InChI InChI=1S/C21H16F3NO2/c22-21(23,24)17-11-12-18(25-14-17)20(26)27-19(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,19H,13H2
InChIKey BVOQADSEKBXIJL-UHFFFAOYSA-N
Mol Weight 371.36 g/mol
Molecular Formula C21H16F3NO2
Exact Mass 371.113313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GN4TgjXksXN
Name 1,2-diphenylethyl 5-(trifluoromethyl)picolinate
Appearance Colorless solid
Carrier Gas Methane
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Exact Mass 371.113313246 u
Formula C21H16F3NO2
InChI InChI=1S/C21H16F3NO2/c22-21(23,24)17-11-12-18(25-14-17)20(26)27-19(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,19H,13H2
InChIKey BVOQADSEKBXIJL-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Molecular Weight 371.359 g/mol
Quality 199
Reported Formula C21H16F3NO2
SMILES C1(=CC=CC=C1)CC(C1=CC=CC=C1)OC(C1=NC=C(C=C1)C(F)(F)F)=O
SPLASH splash10-008a-3920000000-92b4512e756f87f0703f
Source of Spectrum QE-28-SM18-3o (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.21 (n-pentane/EtOAc, 20:1)
Wiley ID 1900690