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4-(2'-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-4'-fluoro-4''-(trifluoromethyl)-[1,1':3',1''-terphenyl]-4-yl)morpholine
SpectraBase Compound ID IEGbHbGNrOV
InChI InChI=1S/C28H26F4N2O2/c1-27(2)17-36-26(33-27)25-22(18-5-9-21(10-6-18)34-13-15-35-16-14-34)11-12-23(29)24(25)19-3-7-20(8-4-19)28(30,31)32/h3-12H,13-17H2,1-2H3
InChIKey FXFZDMZAYVUREQ-UHFFFAOYSA-N
Mol Weight 498.52 g/mol
Molecular Formula C28H26F4N2O2
Exact Mass 498.193041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eD0N5p6u
Name 4-(2'-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-4'-fluoro-4''-(trifluoromethyl)-[1,1':3',1''-terphenyl]-4-yl)morpholine
Appearance White solid
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Exact Mass 498.193040735 u
Formula C28H26F4N2O2
InChI InChI=1S/C28H26F4N2O2/c1-27(2)17-36-26(33-27)25-22(18-5-9-21(10-6-18)34-13-15-35-16-14-34)11-12-23(29)24(25)19-3-7-20(8-4-19)28(30,31)32/h3-12H,13-17H2,1-2H3
InChIKey FXFZDMZAYVUREQ-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 498.522 g/mol
Reported Formula C28H26F4N2O2
SMILES C1(N=C(OC1)C1=C(C(=CC=C1C1=CC=C(C=C1)N1CCOCC1)F)C1=CC=C(C=C1)C(F)(F)F)(C)C
SPLASH splash10-00mk-0018900000-1f10e2ffdba49be217b3
Source of Spectrum QE-28-SM47-3f (DOI: 10.1002/chem.202103700)
Wiley ID 1898227