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3,5-bis((4-(trifluoromethyl)phenyl)ethynyl)-4-(1H-pyrrol-1-yl)-pyridine

View entire compound with spectra: 1 MS (GC)

3,5-bis((4-(trifluoromethyl)phenyl)ethynyl)-4-(1H-pyrrol-1-yl)-pyridine
SpectraBase Compound ID Bw0z0cIwsFD
InChI InChI=1S/C27H14F6N2/c28-26(29,30)23-11-5-19(6-12-23)3-9-21-17-34-18-22(25(21)35-15-1-2-16-35)10-4-20-7-13-24(14-8-20)27(31,32)33/h1-2,5-8,11-18H
InChIKey SUNOWTKLEMGEPB-UHFFFAOYSA-N
Mol Weight 480.41 g/mol
Molecular Formula C27H14F6N2
Exact Mass 480.106117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIS5rscU8LU
Name 3,5-bis((4-(trifluoromethyl)phenyl)ethynyl)-4-(1H-pyrrol-1-yl)-pyridine
Appearance Yellow solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.106117437 u
Formula C27H14F6N2
InChI InChI=1S/C27H14F6N2/c28-26(29,30)23-11-5-19(6-12-23)3-9-21-17-34-18-22(25(21)35-15-1-2-16-35)10-4-20-7-13-24(14-8-20)27(31,32)33/h1-2,5-8,11-18H
InChIKey SUNOWTKLEMGEPB-UHFFFAOYSA-N
Instrument Name Agilent HP 5890-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701347
Molecular Weight 480.413 g/mol
Reported Formula C27H14N2F6
SMILES C=1(C#CC2=CC=C(C=C2)C(F)(F)F)C=NC=C(C#CC2=CC=C(C=C2)C(F)(F)F)C1N1C=CC=C1
SPLASH splash10-003r-0000900000-2fc09a4666f4adbf5d44
Source of Spectrum ACI-56-SM6-3h (DOI: 10.1002/anie.201701347)
Wiley ID 1895753