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3-([1,1'-Biphenyl]-4-yl)-4,4,4-trifluorobutanenitrile
SpectraBase Compound ID 9UzPos7X9Eo
InChI InChI=1S/C16H12F3N/c17-16(18,19)15(10-11-20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKey LEFAROXVDHYILI-UHFFFAOYSA-N
Mol Weight 275.27 g/mol
Molecular Formula C16H12F3N
Exact Mass 275.092184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIF5qP7fZzj
Name 3-([1,1'-Biphenyl]-4-yl)-4,4,4-trifluorobutanenitrile
Appearance White solid
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Formula C16H12F3N
InChI InChI=1S/C16H12F3N/c17-16(18,19)15(10-11-20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKey LEFAROXVDHYILI-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 275.274 g/mol
Reported Formula C16H12F3N
SMILES c1c(ccc(C(CC#N)C(F)(F)F)c1)-c1ccccc1
SPLASH splash10-000i-0190000000-281e567fde1ec103433d
Source of Spectrum A1-23-SM47-2l
Wiley ID 1870240