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

*Links on SpectraBase are not permalinks.
1,2-bis[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene
SpectraBase Compound ID Bnek30L38qJ
InChI InChI=1S/C24H12F6/c25-23(26,27)21-13-7-17(8-14-21)5-11-19-3-1-2-4-20(19)12-6-18-9-15-22(16-10-18)24(28,29)30/h1-4,7-10,13-16H
InChIKey OABTVNFCLSHDDV-UHFFFAOYSA-N
Mol Weight 414.35 g/mol
Molecular Formula C24H12F6
Exact Mass 414.084319 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 7hxIbdL5brz
Name 1,2-bis[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.084319364 u
Formula C24H12F6
InChI InChI=1S/C24H12F6/c25-23(26,27)21-13-7-17(8-14-21)5-11-19-3-1-2-4-20(19)12-6-18-9-15-22(16-10-18)24(28,29)30/h1-4,7-10,13-16H
InChIKey OABTVNFCLSHDDV-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 700 or JEOL JMS-700 or Vacuum Generators ZAB-2F or HP Agilent 5890 Series II Plus-HP 5972
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201700057
Molecular Weight 414.350 g/mol
Reported Formula C24H12F6
SMILES C=1C=CC(C#CC2=CC=C(C=C2)C(F)(F)F)=C(C#CC2=CC=C(C=C2)C(F)(F)F)C1
SPLASH splash10-03di-0001900000-807a9b63aa02d1ae775f
Source of Spectrum ACI-56-SM9-1i (DOI: 10.1002/anie.201700057)
Thin-Layer Chromatography 0.45 (PE/EA, 50:1)
Wiley ID 1895493