For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4'-Fluoro-4''-(trifluoromethyl)-1,2,3,4-tetrahydro-[1,1':3',1''-terphenyl]-2'-carbonitrile
SpectraBase Compound ID Jgdox3oA5q7
InChI InChI=1S/C20H15F4N/c21-18-11-10-16(13-4-2-1-3-5-13)17(12-25)19(18)14-6-8-15(9-7-14)20(22,23)24/h2,4,6-11,13H,1,3,5H2
InChIKey WIJNFIGIPRVXAK-UHFFFAOYSA-N
Mol Weight 345.34 g/mol
Molecular Formula C20H15F4N
Exact Mass 345.114062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CnbX58MqEl2
Name 4'-Fluoro-4''-(trifluoromethyl)-1,2,3,4-tetrahydro-[1,1':3',1''-terphenyl]-2'-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15F4N
InChI InChI=1S/C20H15F4N/c21-18-11-10-16(13-4-2-1-3-5-13)17(12-25)19(18)14-6-8-15(9-7-14)20(22,23)24/h2,4,6-11,13H,1,3,5H2
InChIKey WIJNFIGIPRVXAK-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 345.341 g/mol
Reported Formula C20H15F4N
SMILES C1(=C(C(=C(C=C1)F)C1=CC=C(C=C1)C(F)(F)F)C#N)C1C=CCCC1
SPLASH splash10-0006-0009000000-e440b9db370881b92ffc
Source of Spectrum QE-28-SM78-5g (DOI: 10.1002/chem.202103700)
Wiley ID 1898251