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3',4',5'-Trimethoxy-3-(trifluoromethyl)-[1,1'-biphenyl]-4-carbonitrile
SpectraBase Compound ID 510kDSZF2Hz
InChI InChI=1S/C17H14F3NO3/c1-22-14-7-12(8-15(23-2)16(14)24-3)10-4-5-11(9-21)13(6-10)17(18,19)20/h4-8H,1-3H3
InChIKey DHRIRYRSBGQXTK-UHFFFAOYSA-N
Mol Weight 337.3 g/mol
Molecular Formula C17H14F3NO3
Exact Mass 337.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5UB3KzJU2I
Name 3',4',5'-Trimethoxy-3-(trifluoromethyl)-[1,1'-biphenyl]-4-carbonitrile
Appearance White solid
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Exact Mass 337.092577801 u
Formula C17H14F3NO3
InChI InChI=1S/C17H14F3NO3/c1-22-14-7-12(8-15(23-2)16(14)24-3)10-4-5-11(9-21)13(6-10)17(18,19)20/h4-8H,1-3H3
InChIKey DHRIRYRSBGQXTK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201610324
Molecular Weight 337.298 g/mol
Reported Formula C17H14F3NO3
SMILES C=1(C(=C(C=C(C=2C=C(C(F)(F)F)C(C#N)=CC2)C1)OC)OC)OC
SPLASH splash10-000i-0039000000-14ed91b11e58649709a0
Source of Spectrum ACI-56-SM12-2i (DOI: 10.1002/anie.201610324)
Wiley ID 1892827