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Ethyl 2'-(1H-pyrazol-1-yl)-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID DLeumPa9cFn
InChI InChI=1S/C19H15F3N2O2/c1-2-26-18(25)14-6-4-13(5-7-14)16-9-8-15(19(20,21)22)12-17(16)24-11-3-10-23-24/h3-12H,2H2,1H3
InChIKey VFVUKQWXQSCWDQ-UHFFFAOYSA-N
Mol Weight 360.34 g/mol
Molecular Formula C19H15F3N2O2
Exact Mass 360.108562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWG4vH5adfu
Name Ethyl 2'-(1H-pyrazol-1-yl)-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate
Appearance Colorless solid
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Formula C19H15F3N2O2
InChI InChI=1S/C19H15F3N2O2/c1-2-26-18(25)14-6-4-13(5-7-14)16-9-8-15(19(20,21)22)12-17(16)24-11-3-10-23-24/h3-12H,2H2,1H3
InChIKey VFVUKQWXQSCWDQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701231
Molecular Weight 360.336 g/mol
Reported Formula C19H15N2F3O2
SMILES C1=C(C(=CC=C1C(F)(F)F)C1=CC=C(C=C1)C(OCC)=O)N1C=CC=N1
SPLASH splash10-0a59-0009000000-b39602f9d81ce86b044a
Source of Spectrum ACI-56-SM29-3gm (DOI: 10.1002/anie.201701231)
Wiley ID 1895832