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4'-Fluoro-4-morpholino-4''-(trifluoromethyl)-[1,1':3',1''-terphenyl]-2'-carbonitrile
SpectraBase Compound ID 3wsI9vMjvr
InChI InChI=1S/C24H18F4N2O/c25-22-10-9-20(16-3-7-19(8-4-16)30-11-13-31-14-12-30)21(15-29)23(22)17-1-5-18(6-2-17)24(26,27)28/h1-10H,11-14H2
InChIKey DKHSXTVKCNZNII-UHFFFAOYSA-N
Mol Weight 426.41 g/mol
Molecular Formula C24H18F4N2O
Exact Mass 426.135526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iaW5EzQxk7
Name 4'-Fluoro-4-morpholino-4''-(trifluoromethyl)-[1,1':3',1''-terphenyl]-2'-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.135525859 u
Formula C24H18F4N2O
InChI InChI=1S/C24H18F4N2O/c25-22-10-9-20(16-3-7-19(8-4-16)30-11-13-31-14-12-30)21(15-29)23(22)17-1-5-18(6-2-17)24(26,27)28/h1-10H,11-14H2
InChIKey DKHSXTVKCNZNII-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 426.415 g/mol
Reported Formula C24H18F4N2O
SMILES C1(=C(C(=C(C=C1)F)C1=CC=C(C=C1)C(F)(F)F)C#N)C1=CC=C(C=C1)N1CCOCC1
SPLASH splash10-0a90-0091100000-da4ec521d527e2b38785
Source of Spectrum QE-28-SM77-5f (DOI: 10.1002/chem.202103700)
Wiley ID 1898250