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2-(4'-Fluoro-4''-(trifluoromethyl)-1,2,3,4-tetrahydro-[1,1':3',1''-terphenyl]-2'-yl)-4,4-dimethyl-4,5-dihydrooxazole
SpectraBase Compound ID Kx53jpnGqAr
InChI InChI=1S/C24H23F4NO/c1-23(2)14-30-22(29-23)21-18(15-6-4-3-5-7-15)12-13-19(25)20(21)16-8-10-17(11-9-16)24(26,27)28/h4,6,8-13,15H,3,5,7,14H2,1-2H3
InChIKey FROHERRFBPNAQC-UHFFFAOYSA-N
Mol Weight 417.45 g/mol
Molecular Formula C24H23F4NO
Exact Mass 417.171577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ntc7XaoZk6
Name 2-(4'-Fluoro-4''-(trifluoromethyl)-1,2,3,4-tetrahydro-[1,1':3',1''-terphenyl]-2'-yl)-4,4-dimethyl-4,5-dihydrooxazole
Appearance White solid
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Exact Mass 417.171577016 u
Formula C24H23F4NO
InChI InChI=1S/C24H23F4NO/c1-23(2)14-30-22(29-23)21-18(15-6-4-3-5-7-15)12-13-19(25)20(21)16-8-10-17(11-9-16)24(26,27)28/h4,6,8-13,15H,3,5,7,14H2,1-2H3
InChIKey FROHERRFBPNAQC-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Molecular Weight 417.448 g/mol
Reported Formula C24H23F4NO
SMILES C1(N=C(OC1)C1=C(C(=CC=C1C1C=CCCC1)F)C1=CC=C(C=C1)C(F)(F)F)(C)C
SPLASH splash10-0296-0009200000-a43476cb5b5ed165ba90
Source of Spectrum QE-28-SM48-3g (DOI: 10.1002/chem.202103700)
Wiley ID 1898228