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1-Bromo-4-(4-ethynylbenzonitrile)-2-(trifluoromethyl)benzene
SpectraBase Compound ID BrEvsxw4HDQ
InChI InChI=1S/C16H7BrF3N/c17-15-8-7-12(9-14(15)16(18,19)20)4-1-11-2-5-13(10-21)6-3-11/h2-3,5-9H
InChIKey DJUIFAIPLVQYKA-UHFFFAOYSA-N
Mol Weight 350.14 g/mol
Molecular Formula C16H7BrF3N
Exact Mass 348.971397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ko1NghnirM
Name 1-Bromo-4-(4-ethynylbenzonitrile)-2-(trifluoromethyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H7BrF3N
InChI InChI=1S/C16H7BrF3N/c17-15-8-7-12(9-14(15)16(18,19)20)4-1-11-2-5-13(10-21)6-3-11/h2-3,5-9H
InChIKey DJUIFAIPLVQYKA-UHFFFAOYSA-N
Molecular Weight 350.138 g/mol
SMILES c1(C(F)(F)F)c(ccc(C#Cc2ccc(C#N)cc2)c1)Br
SPLASH splash10-0udj-0019000000-e3f98abd35d927c18b72
Source of Spectrum U1-2013-8127-3j
Synonyms 4-((4-bromo-3-(trifluoromethyl)phenyl)ethynyl)benzonitrile
Wiley ID 1740425